trans-1-Propenyl propyl trisulfide
PubChem CID: 5352693
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| Compound Synonyms | trans-1-Propenyl propyl trisulfide, Trisulfide, propenyl propyl, (E)-, (E)-1-Propenyl propyl trisulfide, Propyl (E)-1-propenyl trisulfide, Propenyl propyl trisulfide, 23838-27-9, Propyl 1-propenyl trisulfide, trans-Propenylpropyltrisulfid, trans-Propenyl propyl trisulfide, CKVNYTRYOFXVGM-HWKANZROSA-N, Propyl trans-1-propenyl trisulfide, 1-propenyl propyl trisulfide (E/Z), Propyl 1-propenyl trisulfide, (E)-, Trisulfide, (1E)-1-propenyl propyl, Trisulfide, 1-propenyl propyl, (E)-, Trisulfide, (1E)-1-propen-1-yl propyl, (E)-1-(Prop-1-en-1-yl)-3-propyltrisulfane, Q67880206 |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | CKVNYTRYOFXVGM-HWKANZROSA-N |
| Rotatable Bond Count | 5.0 |
| Heavy Atom Count | 9.0 |
| Compound Name | trans-1-Propenyl propyl trisulfide |
| Description | Trans-propenyl propyl 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). Trans-propenyl propyl trisulfide can be found in garden onion, which makes trans-propenyl propyl trisulfide a potential biomarker for the consumption of this food product. |
| Exact Mass | 180.01 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.01 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.7 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[[(E)-prop-1-enyl]trisulfanyl]propane |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C6H12S3/c1-3-5-7-9-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| Smiles | CCCSSS/C=C/C |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C6H12S3 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all