Ethyl methyl disulfide

PubChem CID: 123388

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Compound Synonyms	Ethyl methyl disulfide, 20333-39-5, Methyl ethyl disulfide, (methyldisulfanyl)ethane, Disulfide, ethyl methyl, Methyl ethyl disulphide, 2,3-Dithiapentane, ethyl methyl disulphide, Ethanesulfenothioic acid, methyl ester, UNII-13370B0F26, 1-(Methyldisulfanyl)ethane, 13370B0F26, DTXSID1074701, FEMA NO. 4040, Disulfide, ethyl methyl (6CI,7CI,8CI,9CI), ETHYL METHYL DISULFIDE [FHFI], (Methyldisulphanyl)ethane, 1-ethyl-2-methyldisulfane, SCHEMBL83094, 1-(Methyldisulfanyl)ethane #, DTXCID0036263, AKOS006276326, FE35676, NS00021823, E80344, A814461, Q27251469, 606-526-2
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	50.6
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Deep Smiles	CCSSC
Heavy Atom Count	5.0
Classyfire Class	Organic disulfides
Description	Constituent of Allium subspecies and Durio zibethinus (durian). Ethyl methyl disulfide is found in kohlrabi, onion-family vegetables, and fruits.
Classyfire Subclass	Dialkyldisulfides
Isotope Atom Count	0.0
Molecular Complexity	14.4
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	(methyldisulfanyl)ethane
Prediction Hob	1.0
Class	Organic disulfides
Veber Rule	True
Classyfire Superclass	Organosulfur compounds
Xlogp	1.3
Superclass	Organosulfur compounds
Subclass	Dialkyldisulfides
Gsk 4 400 Rule	True
Molecular Formula	C3H8S2
Prediction Swissadme	0.0
Inchi Key	XLTBPTGNNLIKRW-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	1.0
Logs	-2.693
Rotatable Bond Count	2.0
Logd	2.505
Synonyms	1-(Methyldisulfanyl)ethane, 2,3-Dithiapentane, Butyl diselenide, Disulfide, ethyl methyl, Ethanesulfenothioic acid, methyl ester, Methyl ethyl disulfide, Methyl ethyl disulphide, Ethyl methyl disulphide, (Methyldisulphanyl)ethane, ethyl methyl disulfide
Substituent Name	Dialkyldisulfide, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound
Esol Class	Very soluble
Functional Groups	CSSC
Compound Name	Ethyl methyl disulfide
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	108.007
Formal Charge	0.0
Monoisotopic Mass	108.007
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	108.23
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	-1.1854321999999997
Inchi	InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3
Smiles	CCSSC
Nring	0.0
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Dialkyldisulfides

1. Outgoing r'ship FOUND_IN to/from Acmella Oleracea (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Allium Ampeloprasum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Allium Angulosum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Allium Ascalonicum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Allium Azureum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Allium Carolinianum (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Allium Cepa (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
10. Outgoing r'ship FOUND_IN to/from Allium Consanguineum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Allium Fistulosum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Allium Hookeri (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Allium Humile (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Allium Macleanii (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Allium Macrostemon (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Allium Monspessulanum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Allium Neapolitanum (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Allium Nutans (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Allium Przewalskianum (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Allium Rhabdotum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Allium Rosenorum (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Allium Sativum (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Allium Schoenoprasum (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Allium Stipitatum (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Allium Stracheyi (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034
27. Outgoing r'ship FOUND_IN to/from Allium Ursinum (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Allium Victorialis (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Allium Wallichii (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Brassica Alba (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Brassica Campestris (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Brassica Carinata (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Brassica Integrifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Brassica Juncea (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Brassica Napus (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Brassica Nigra (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
38. Outgoing r'ship FOUND_IN to/from Brassica Rapa (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Brassica Rutabaga (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Brassica Varigiata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Cirsium Chinense (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Eriosema Chinense (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Neptunia Oleracea (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Portulaca Oleracea (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Spilanthes Oleracea (Plant) Rel Props:Reference:
58. Outgoing r'ship FOUND_IN to/from Spinacia Oleracea (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
61. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:

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Ethyl methyl disulfide

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Phytochemical Properties

Associated Connections 61

Plant Connections 61