Trisulfide, 1-propenyl, 2-propenyl
PubChem CID: 5352909
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| Compound Synonyms | Trisulfide, 1-propenyl, 2-propenyl, Allyl-1-propenyl trisulfide, (e)-allyl propenyl trisulfide, Allyl(E)-prop-1-enyl trisulfide, ABXMBMQLMGNKES-GQCTYLIASA-N, Trisulfide, (1E)-1-propenyl 2-propenyl, (E)-1-Allyl-3-(prop-1-en-1-yl)trisulfane |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Trans-1-propenyl allyl 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-1-propenyl allyl trisulfide can be found in soft-necked garlic, which makes trans-1-propenyl allyl trisulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(prop-2-enyltrisulfanyl)prop-1-ene |
| Nih Violation | True |
| Class | Organic trisulfides |
| Xlogp | 2.7 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C6H10S3 |
| Inchi Key | ABXMBMQLMGNKES-GQCTYLIASA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | Trisulfide, 1-propenyl, 2-propenyl, 1-[(1E)-Prop-1-en-1-yl]-3-(prop-2-en-1-yl)trisulphane, trans-1-Propenyl allyl trisulphide, Allyl-1-propenyl trisulphide |
| Compound Name | Trisulfide, 1-propenyl, 2-propenyl |
| Kingdom | Organic compounds |
| Exact Mass | 177.994 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 177.994 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 178.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ |
| Smiles | C/C=C/SSSCC=C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Organic trisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all