Methyl cis-1-propenyl trisulfide

PubChem CID: 5352691

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Compound Synonyms	methyl cis-1-propenyl trisulfide, Methyl cis-propenyl trisulfide, Methyl-cis-propenyl trisulfide, cis-methyl 1-propenyl trisulfide, WPRUFZZPIFLBDG-ARJAWSKDSA-N, Trisulfide, methyl propenyl, (Z)-, Methyl 1-propenyl trisulfide, (Z)-, Trisulfide, methyl (1Z)-1-propenyl, Trisulfide, methyl 1-propenyl, (Z)-, Trisulfide, methyl (1Z)-1-propen-1-yl, (Z)-1-Methyl-3-(prop-1-en-1-yl)trisulfane
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	CSSS/C=CC
Heavy Atom Count	7.0
Classyfire Class	Organic trisulfides
Description	Methyl-cis-propenyl trisulfide is a member of the class of compounds known as organic trisulfides. Organic trisulfides are organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl). Methyl-cis-propenyl trisulfide can be found in garden onion, which makes methyl-cis-propenyl trisulfide a potential biomarker for the consumption of this food product.
Isotope Atom Count	0.0
Molecular Complexity	50.9
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(Z)-1-(methyltrisulfanyl)prop-1-ene
Prediction Hob	1.0
Class	Organic trisulfides
Veber Rule	True
Classyfire Superclass	Organosulfur compounds
Xlogp	2.1
Superclass	Organosulfur compounds
Gsk 4 400 Rule	True
Molecular Formula	C4H8S3
Prediction Swissadme	0.0
Inchi Key	WPRUFZZPIFLBDG-ARJAWSKDSA-N
Silicos It Class	Soluble
Fcsp3	0.5
Logs	-3.572
Rotatable Bond Count	3.0
Logd	3.089
Synonyms	1-Methyl-3-[(1Z)-prop-1-en-1-yl]trisulphane, Methyl-cis-propenyl trisulphide, methyl cis-1-propenyl trisulfide
Esol Class	Very soluble
Functional Groups	C/C=CSSSC
Compound Name	Methyl cis-1-propenyl trisulfide
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	151.979
Formal Charge	0.0
Monoisotopic Mass	151.979
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	152.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	1.0
Molecular Framework	Aliphatic acyclic compounds
Lipinski Rule Of 5	True
Esol	-1.8904158
Inchi	InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3/b4-3-
Smiles	C/C=C\SSSC
Nring	0.0
Defined Bond Stereocenter Count	1.0
Egan Rule	True
Taxonomy Direct Parent	Organic trisulfides

1. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Allium Ampeloprasum (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Allium Angulosum (Plant) Rel Props:Reference:
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5. Outgoing r'ship FOUND_IN to/from Allium Azureum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Allium Carolinianum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all
8. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
9. Outgoing r'ship FOUND_IN to/from Allium Consanguineum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Allium Fistulosum (Plant) Rel Props:Reference:
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15. Outgoing r'ship FOUND_IN to/from Allium Monspessulanum (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Allium Neapolitanum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Allium Nutans (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Allium Przewalskianum (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Allium Rhabdotum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Allium Rosenorum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Allium Schoenoprasum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Allium Stipitatum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Allium Stracheyi (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034
26. Outgoing r'ship FOUND_IN to/from Allium Ursinum (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Allium Victorialis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Allium Wallichii (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:

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Methyl cis-1-propenyl trisulfide

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Phytochemical Properties

Associated Connections 45

Plant Connections 45