Methyl prop-1-enyl disulphide
PubChem CID: 6164465
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| Compound Synonyms | Methyl cis-propenyl disulfide, methyl cis-1-propenyl disulfide, 1-Propenyl methyl disulfide, Methyl prop-1-enyl disulphide, cis-1-Propenyl methyl disulfide, Methyl (Z)-1-propenyl disulfide, Disulfide, methyl propenyl, (Z)-, Disulfide, methyl (1Z)-1-propenyl, Disulfide, methyl 1-propenyl, (Z)-, Disulfide, methyl (1Z)-1-propen-1-yl, Methyl propenyl disulfide, (Z)-, EINECS 227-605-4, Methyl 1-propenyl disulfide, (E)-Methyl 1-propenyl disulfide, 39OO13A9T4, 23838-18-8, UNII-39OO13A9T4, (Z)-methyl propenyl disulfide, methyl-(Z)-propenyl disulfide, SCHEMBL5163776, (Z)-1-propenylmethyl disulfide, FUDUFCLRGSEHAJ-ARJAWSKDSA-N, (1Z)-1-(methyldisulfanyl)prop-1-ene, (Z)-1-Methyl-2-(prop-1-en-1-yl)disulfane, Q27256917 |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Description | Constituent of the essential oils of Allium subspecies (E)-Methyl 1-propenyl disulfide is found in soft-necked garlic and onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 40.8 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-(methyldisulfanyl)prop-1-ene |
| Prediction Hob | 1.0 |
| Class | Organic disulfides |
| Xlogp | 1.6 |
| Superclass | Organosulfur compounds |
| Molecular Formula | C4H8S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUDUFCLRGSEHAJ-ARJAWSKDSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.558 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.95 |
| Synonyms | 1-propenyl methyl disulfide, 4,5-Dithia-2-hexene, Disulfide, methyl 1-propenyl, FEMA 3576, Methyl prop-1-enyl disulphide, Methyl propenyl disulfide, Methyl-1-propenyl disulphide, Methyldithio-1-propene, (e)-Methyl 1-propenyl disulphide, (1Z)-1-(Methyldisulphanyl)prop-1-ene, (Z)-Methyl 1-propenyl disulphide |
| Substituent Name | Organic disulfide, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | Methyl prop-1-enyl disulphide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 120.007 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.007 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 120.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.4804003999999997 |
| Inchi | InChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3/b4-3- |
| Smiles | C/C=C\SSC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Organic disulfides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all