Di(1-propenyl) trisulfide
PubChem CID: 5352793
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| Compound Synonyms | Di-1-propenyl trisulfide, di(1-propenyl) trisulfide, RWAJLLGQYHTAMT-GGWOSOGESA-N, bis-(1-Propenyl) trisulfide, #1, Trisulfide, di-1-propenyl, (E,E)-, 1,3-Di((E)-prop-1-en-1-yl)trisulfane |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Di-1-propenyl 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). Di-1-propenyl trisulfide can be found in soft-necked garlic, which makes di-1-propenyl trisulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-[[(E)-prop-1-enyl]trisulfanyl]prop-1-ene |
| Nih Violation | True |
| Class | Organic trisulfides |
| Xlogp | 2.8 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C6H10S3 |
| Inchi Key | RWAJLLGQYHTAMT-GGWOSOGESA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | Di(1-propenyl) trisulphide, Di-1-propenyl trisulphide |
| Compound Name | Di(1-propenyl) trisulfide |
| 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 | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C6H10S3/c1-3-5-7-9-8-6-4-2/h3-6H,1-2H3/b5-3+,6-4+ |
| Smiles | C/C=C/SSS/C=C/C |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Organic trisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all