1-Methyl-3-(prop-1-EN-1-YL)trisulfane
PubChem CID: 528712
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| Compound Synonyms | 33368-80-8, DTXSID40954992, 1-METHYL-3-(PROP-1-EN-1-YL)TRISULFANE, Methyl-1-propenyl trisulfide, methyl-1-propenyl-trisulfide, 1-(methyltrisulfanyl)prop-1-ene, WPRUFZZPIFLBDG-UHFFFAOYSA-N, DTXCID401382998, NS00126405 |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Methyl-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). Methyl-1-propenyl trisulfide can be found in soft-necked garlic, which makes methyl-1-propenyl trisulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(methyltrisulfanyl)prop-1-ene |
| Nih Violation | True |
| Class | Organic trisulfides |
| Xlogp | 2.1 |
| Superclass | Organosulfur compounds |
| Is Pains | False |
| Molecular Formula | C4H8S3 |
| Inchi Key | WPRUFZZPIFLBDG-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | Trisulfide, methyl 1-propenyl, 1-Methyl-3-(prop-1-en-1-yl)trisulphane, Methyl-1-propenyl trisulphide |
| Compound Name | 1-Methyl-3-(prop-1-EN-1-YL)trisulfane |
| Kingdom | Organic compounds |
| Exact Mass | 151.979 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 151.979 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.3 |
| 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/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3 |
| Smiles | CC=CSSSC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Organic trisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:fooddb_chem_all