Trisulfide, methyl 1-propenyl
PubChem CID: 5352690
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| Compound Synonyms | Trisulfide, methyl 1-propenyl, methyl trans-1-propenyl trisulfide, Methyl-1-propenyl trisulfide, methyl 1-propenyl trisulfide, TRISULFIDE METHYL 1-PROPENYL, Methylpropenyl trisulfide, Methyl trans-propenyl trisulfide, WPRUFZZPIFLBDG-ONEGZZNKSA-N, methyl trans-1-propenyl trisulphide, Trisulfide, methyl propenyl, (E)-, Methyl 1-propenyl trisulfide, (E)-, Trisulfide, methyl (1E)-1-propenyl, Trisulfide, methyl 1-propenyl, (E)-, Trisulfide, methyl (1E)-1-propen-1-yl, (E)-1-Methyl-3-(prop-1-en-1-yl)trisulfane |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Methylpropenyl 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). Methylpropenyl trisulfide can be found in garden onion, which makes methylpropenyl trisulfide a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(methyltrisulfanyl)prop-1-ene |
| Prediction Hob | 1.0 |
| Class | Organic trisulfides |
| Xlogp | 2.1 |
| Superclass | Organosulfur compounds |
| Molecular Formula | C4H8S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WPRUFZZPIFLBDG-ONEGZZNKSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.109 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.216 |
| Synonyms | Methyl trans-1-propenyl trisulphide, Methylpropenyl trisulphide |
| Compound Name | Trisulfide, methyl 1-propenyl |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.979 |
| Formal Charge | 0.0 |
| 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 |
| Esol | -1.8904158 |
| Inchi | InChI=1S/C4H8S3/c1-3-4-6-7-5-2/h3-4H,1-2H3/b4-3+ |
| Smiles | C/C=C/SSSC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Organic trisulfides |
- 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 Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all