Dimethyl pentasulfide
PubChem CID: 81772
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| Compound Synonyms | Dimethyl pentasulfide, Dimethyl pentasulphide, Pentasulfide, dimethyl, 7330-31-6, EINECS 230-823-2, DTXSID20223532, dimethylpentasulfide, Methyl pentasulfide, (methylpentasulanyl)methane, 1,5-Dimethylpentasulfane #, L6BRL2G2B9, SCHEMBL2593497, DTXCID50146023, CHEBI:198819, NS00037496, 230-823-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CSSSSSC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Sulfenyl compounds |
| Description | Dimethyl pentasulfide is a member of the class of compounds known as sulfenyl compounds. Sulfenyl compounds are organosulfur compounds a sulfenyl group with the general formula RS (R = organyl). Dimethyl pentasulfide can be found in garden onion and soft-necked garlic, which makes dimethyl pentasulfide a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 25.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (methylpentasulfanyl)methane |
| Class | Sulfenyl compounds |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.2 |
| Superclass | Organosulfur compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C2H6S5 |
| Inchi Key | HFHOSCCMQJJVKR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,5-Dimethylpentasulfane, Dimethyl pentasulfide, Dimethyl pentasulphide, Pentasulfide, dimethyl, dimethyl pentasulfide, dimethyl pentasulphide, dimethyl-pentasulfide |
| Esol Class | Soluble |
| Functional Groups | CSSSSSC |
| Compound Name | Dimethyl pentasulfide |
| Kingdom | Organic compounds |
| Exact Mass | 189.907 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 189.907 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 190.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C2H6S5/c1-3-5-7-6-4-2/h1-2H3 |
| Smiles | CSSSSSC |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Sulfenyl compounds |
- 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 Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1574