Allyl methyl sulfide

PubChem CID: 66282

Connections displayed (default: 10).

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Compound Synonyms	Allyl methyl sulfide, 10152-76-8, 1-Propene, 3-(methylthio)-, 3-methylsulfanylprop-1-ene, Allyl methyl sulphide, 3-(methylthio)-1-propene, 3-methylthio-1-propene, Sulfide, allyl methyl, Methyl allyl sulfide, 3-(methylsulfanyl)prop-1-ene, CCRIS 7066, EINECS 233-422-0, UNII-V7QI1R316C, Methylallyl sulphide, allyl(methyl)sulfane, Methyl allyl sulphide, V7QI1R316C, 3-(Methylthio)propene, MFCD00008657, Methyl 2-propenyl sulfide, CH3SCH2CH=CH2, Allyl methyl sulfide, 8CI, 3-(Methylsulfanyl)-1-propene, DTXSID9064976, 3-(Methylthio)-1-propene, Allyl methyl thioether, Methyl 2-propenyl sulfide, Allyl methyl sulfide, 98%, NCIOpen2_003675, 3-(Methylsulphanyl)prop-1-ene, DTXCID6032643, CHEBI:89856, s6204, AKOS015852530, HY-128447, A1117, CS-0099196, NS00021440, D88380, EN300-1721010, A800399, Q2652757, Z1137179168
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	CSCC=C
Heavy Atom Count	5.0
Classyfire Class	Allyl sulfur compounds
Description	Constituent of garlic volatiles. Potential nutriceutical. 3-(Methylthio)-1-propene is found in many foods, some of which are onion-family vegetables, soft-necked garlic, ginger, and garden onion.
Isotope Atom Count	0.0
Molecular Complexity	24.8
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3-methylsulfanylprop-1-ene
Prediction Hob	1.0
Class	Allyl sulfur compounds
Veber Rule	True
Classyfire Superclass	Organosulfur compounds
Xlogp	1.5
Superclass	Organosulfur compounds
Gsk 4 400 Rule	True
Molecular Formula	C4H8S
Prediction Swissadme	0.0
Inchi Key	NVLPQIPTCCLBEU-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.5
Logs	-2.229
Rotatable Bond Count	2.0
Logd	1.888
Synonyms	1-Propene, 3-(methylthio)-, 3-(Methylsulfanyl)-1-propene, 3-(Methylthio)propene, 3-methylthio-1-propene, Allyl methyl sulfide, Allyl methyl sulfide, 8CI, Allyl methyl sulphide, CH3SCH2CH=CH2, Methyl 2-propenyl sulfide, Methyl allyl sulfide, Methyl propenyl sulfide, Methylallyl sulphide, Sulfide, allyl methyl, 3-Methylthio-1-propene, Allylmethylsulfide, 3-(methylthio)Propene, Allyl methyl sulfide, 8ci, CH3Sch2CH=ch2, 3-(Methylsulphanyl)prop-1-ene, allyl methyl sulfide, allyl methyl sulphide, allyl methyl sulﬁde
Esol Class	Very soluble
Functional Groups	C=CC, CSC
Compound Name	Allyl methyl sulfide
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	88.0347
Formal Charge	0.0
Monoisotopic Mass	88.0347
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	88.17
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Lipinski Rule Of 5	True
Esol	-1.2122849999999996
Inchi	InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
Smiles	CSCC=C
Nring	0.0
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Allyl sulfur compounds

1. Outgoing r'ship FOUND_IN to/from Abelmoschus Moschatus (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acacia Decurrens (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acer Rubrum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Allium Ampeloprasum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Allium Angulosum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Allium Ascalonicum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Allium Azureum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Allium Carolinianum (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all
10. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Allium Consanguineum (Plant) Rel Props:Reference:
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13. Outgoing r'ship FOUND_IN to/from Allium Hookeri (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Allium Humile (Plant) Rel Props:Reference:
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17. Outgoing r'ship FOUND_IN to/from Allium Monspessulanum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Allium Neapolitanum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Allium Nutans (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Allium Przewalskianum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Allium Rhabdotum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Allium Rosenorum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
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27. Outgoing r'ship FOUND_IN to/from Allium Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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33. Outgoing r'ship FOUND_IN to/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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53. Outgoing r'ship FOUND_IN to/from Berberis Fortunei (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Berberis Ichiana (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Berberis Insignis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
57. Outgoing r'ship FOUND_IN to/from Berberis Jaeschkeana (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Berberis Kawakamii (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Berberis Koreana (Plant) Rel Props:Reference:
62. Outgoing r'ship FOUND_IN to/from Berberis Lambertii (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Berberis Laurina (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Berberis Nepalensis (Plant) Rel Props:Reference:
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72. Outgoing r'ship FOUND_IN to/from Berberis Pseudumbellata (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Berberis Repens (Plant) Rel Props:Reference:
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76. Outgoing r'ship FOUND_IN to/from Berberis Tschonoskiana (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Berberis Ulcina (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Berberis Umbellata (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Berberis Valdiviana (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Berberis Virescens (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Berberis Wallichiana (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Berberis Wilsonae (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Calamus Latifolius (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Caus Latifolius (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Chlorophytum Tuberosum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Corallium Rubrum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Coriandrum Sativum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Cyclosorus Parasiticus (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Cynoglossum Officinale (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Dictamnus Angustifolius (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Echinopsis Latifolius (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Echium Rubrum (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
96. Outgoing r'ship FOUND_IN to/from Elephantopus Carolinianus (Plant) Rel Props:Reference:
97. Outgoing r'ship FOUND_IN to/from Elephantopus Hirtiflorus (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Elephantopus Mollis (Plant) Rel Props:Reference:
99. Outgoing r'ship FOUND_IN to/from Elephantopus Scaber (Plant) Rel Props:Reference:
100. Outgoing r'ship FOUND_IN to/from Euphrasia Officinale (Plant) Rel Props:Reference:
101. Outgoing r'ship FOUND_IN to/from Guaiacum Officinale (Plant) Rel Props:Reference:
102. Outgoing r'ship FOUND_IN to/from Hedysarum Tuberosum (Plant) Rel Props:Reference:
103. Outgoing r'ship FOUND_IN to/from Herbertus Aduncus (Plant) Rel Props:Reference:
104. Outgoing r'ship FOUND_IN to/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
105. Outgoing r'ship FOUND_IN to/from Hyssopus Officinale (Plant) Rel Props:Reference:
106. Outgoing r'ship FOUND_IN to/from Isoplexis Chalcantha (Plant) Rel Props:Reference:
107. Outgoing r'ship FOUND_IN to/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
108. Outgoing r'ship FOUND_IN to/from Jasminum Officinale (Plant) Rel Props:Reference:
109. Outgoing r'ship FOUND_IN to/from Lathyrus Latifolius (Plant) Rel Props:Reference:
110. Outgoing r'ship FOUND_IN to/from Lepidium Sativum (Plant) Rel Props:Reference:
111. Outgoing r'ship FOUND_IN to/from Leptochilus Decurrens (Plant) Rel Props:Reference:
112. Outgoing r'ship FOUND_IN to/from Levisticum Officinale (Plant) Rel Props:Reference:
113. Outgoing r'ship FOUND_IN to/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
114. Outgoing r'ship FOUND_IN to/from Libocedrus Plumosa (Plant) Rel Props:Reference:
115. Outgoing r'ship FOUND_IN to/from Lilium Rubrum (Plant) Rel Props:Reference:
116. Outgoing r'ship FOUND_IN to/from Lindera Megaphylla (Plant) Rel Props:Reference:
117. Outgoing r'ship FOUND_IN to/from Lithospermum Officinale (Plant) Rel Props:Reference:
118. Outgoing r'ship FOUND_IN to/from Loranthus Falcatus (Plant) Rel Props:Reference:
119. Outgoing r'ship FOUND_IN to/from Loranthus Longiflorus (Plant) Rel Props:Reference:
120. Outgoing r'ship FOUND_IN to/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
121. Outgoing r'ship FOUND_IN to/from Lupinus Angustifolius (Plant) Rel Props:Reference:
122. Outgoing r'ship FOUND_IN to/from Nasturtium Officinale (Plant) Rel Props:Reference:
123. Outgoing r'ship FOUND_IN to/from Ochna Integerrima (Plant) Rel Props:Reference:
124. Outgoing r'ship FOUND_IN to/from Pareptochilus Decurrens (Plant) Rel Props:Reference:
125. Outgoing r'ship FOUND_IN to/from Peucedanum Officinale (Plant) Rel Props:Reference:
126. Outgoing r'ship FOUND_IN to/from Phenax Angustifolius (Plant) Rel Props:Reference:
127. Outgoing r'ship FOUND_IN to/from Pistacia Integerrima (Plant) Rel Props:Reference:
128. Outgoing r'ship FOUND_IN to/from Pisum Sativum (Plant) Rel Props:Reference:
129. Outgoing r'ship FOUND_IN to/from Rheum Officinale (Plant) Rel Props:Reference:
130. Outgoing r'ship FOUND_IN to/from Ribes Rubrum (Plant) Rel Props:Reference:
131. Outgoing r'ship FOUND_IN to/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
132. Outgoing r'ship FOUND_IN to/from Schoenocaulon Officinale (Plant) Rel Props:Reference:
133. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
134. Outgoing r'ship FOUND_IN to/from Sisymbrium Officinale (Plant) Rel Props:Reference:
135. Outgoing r'ship FOUND_IN to/from Solanum Tuberosum (Plant) Rel Props:Reference:
136. Outgoing r'ship FOUND_IN to/from Solidago Decurrens (Plant) Rel Props:Reference:
137. Outgoing r'ship FOUND_IN to/from Symphytum Officinale (Plant) Rel Props:Reference:
138. Outgoing r'ship FOUND_IN to/from Symphytum Tuberosum (Plant) Rel Props:Reference:
139. Outgoing r'ship FOUND_IN to/from Taraxacum Officinale (Plant) Rel Props:Reference:
140. Outgoing r'ship FOUND_IN to/from Triticum Sativum (Plant) Rel Props:Reference:
141. Outgoing r'ship FOUND_IN to/from Viguiera Decurrens (Plant) Rel Props:Reference:
142. Outgoing r'ship FOUND_IN to/from Zingiber Aromaticum (Plant) Rel Props:Reference:
143. Outgoing r'ship FOUND_IN to/from Zingiber Capitatum (Plant) Rel Props:Reference:
144. Outgoing r'ship FOUND_IN to/from Zingiber Cassumunar (Plant) Rel Props:Reference:
145. Outgoing r'ship FOUND_IN to/from Zingiber Cernuum (Plant) Rel Props:Reference:
146. Outgoing r'ship FOUND_IN to/from Zingiber Chrysanthum (Plant) Rel Props:Reference:
147. Outgoing r'ship FOUND_IN to/from Zingiber Montanum (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
149. Outgoing r'ship FOUND_IN to/from Zingiber Purpureum (Plant) Rel Props:Reference:
150. Outgoing r'ship FOUND_IN to/from Zingiber Roseum (Plant) Rel Props:Reference:
151. Outgoing r'ship FOUND_IN to/from Zingiber Rubens (Plant) Rel Props:Reference:
152. Outgoing r'ship FOUND_IN to/from Zingiber Spectabile (Plant) Rel Props:Reference:
153. Outgoing r'ship FOUND_IN to/from Zingiber Zerumbet (Plant) Rel Props:Reference:

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Allyl methyl sulfide

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Phytochemical Properties

Associated Connections 153

Plant Connections 153