Propenyl propyl disulfide
PubChem CID: 5352908
Connections displayed (default: 10).
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| Compound Synonyms | 1-Propenyl propyl disulfide, Disulfide, 1-propenyl propyl, Prop-1-enyl propyl disulphide, cis-Propenyl propyl disulfide, FEMA No. 3227, 1-[[(Z)-prop-1-enyl]disulfanyl]propane, Propenyl propyl disulfide, Propenyl propyl disulfide, (1Z)-, EINECS 227-604-9, 0368A7K9E5, G5Y2SQ08AL, cis-1-Propenyl propyl disulfide, Propyl cis-1-propenyl disulfide, UNII-0368A7K9E5, (Z)-1-Propenyl propyl disulfide, Disulfide, propenyl propyl, (Z)-, Disulfide, 1-propenyl propyl, (Z)-, (1Z)-1-(propyldisulfanyl)prop-1-ene, Disulfide, (1Z)-1-propen-1-yl propyl, 5905-46-4, 23838-20-2, 1-(((Z)-prop-1-enyl)disulfanyl)propane, UNII-G5Y2SQ08AL, Propyl cis-1-propenyl disulide, Disulfide, 1-propyenyl propyl, (E)-, 4,5-Dithia-2-octene, Propyl propenyl disulphide, Disulfide, propenyl propyl, Propyl 1-propenyl disulfide, SCHEMBL1395807, (1Z)-propenyl propyl disulfide, FEMA 3227, Propyl 1-propenyl disulfide, cis, 1-(prop-1-enyldisulfanyl)propane, AAPBYIVJOWCMGH-HYXAFXHYSA-N, CHEBI:173630, Disulfide, (1Z)-1-propenyl propyl, Disulfide, (Z)-1-propenyl, propyl, FEMA NO. 3227, Z-, Disulfide, (1Z)-1-propyenyl propyl, PROPENYL PROPYL DISULFIDE, CIS-, PROPENYL PROPYL DISULFIDE [FHFI], 1-[[(Z)-prop-1-enyl]disulanyl]propane, (Z)-1-(Prop-1-en-1-yl)-2-propyldisulfane, Q27278807 |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Constituent of the essential oils of Allium subspecies (E)-1-Propenyl propyl disulfide is found in onion-family vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 59.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[[(Z)-prop-1-enyl]disulfanyl]propane |
| Prediction Hob | 1.0 |
| Class | Organic disulfides |
| Xlogp | 2.5 |
| Superclass | Organosulfur compounds |
| Molecular Formula | C6H12S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AAPBYIVJOWCMGH-HYXAFXHYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.969 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.632 |
| Synonyms | 4,5-Dithia-2-octene, Disulfide, 1-propenyl propyl, Disulfide, propenyl propyl, FEMA 3227, Prop-1-enyl propyl disulphide, Propyl 1-propenyl disulfide, Propyl propenyl disulphide, 1-Propenyl propyl disulphide, (1Z)-1-(Propyldisulphanyl)prop-1-ene, (Z)-1-Propenyl propyl disulphide |
| Substituent Name | Organic disulfide, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | Propenyl propyl disulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.038 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 148.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.0893352 |
| Inchi | InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- |
| Smiles | CCCSS/C=C\C |
| 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:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Crataegus Pinnatifida (Plant) Rel Props:Source_db:cmaup_ingredients