Diethyl trisulfide
PubChem CID: 77151
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| Compound Synonyms | Diethyl trisulfide, 3,4,5-trithiaheptane, 3600-24-6, Trisulfide, diethyl, Ethyl trisulfide, Diethyl trisulphide, (ethyltrisulfanyl)ethane, DIETHYLTRISULFANE, 1,3-Diethyltrisulfane, UNII-0JO6C5I84O, NSC 97329, 0JO6C5I84O, Ethyl trisulfide, 8CI, EINECS 222-754-1, NSC-97329, DTXSID3063097, FEMA NO. 4029, DIETHYL TRISULFIDE [FHFI], FEMA NO. 4042, DIETHYL-, Diethyltrisulphane, MFCD00039906, (ethyltrisulanyl)ethane, 1,3-Diethyltrisulfane #, 1-ETHYLTRISULFANYLETHANE, SCHEMBL1358709, DTXCID2039128, 1- ETHYLTRISULFANYLETHANE, CHEBI:167087, NSC97329, AKOS006271481, D5749, NS00046983, G77546, EN300-7577184, Q16070571 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCSSSCC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organic trisulfides |
| Description | Cystine thermal degradation product. Aroma constituent of salted pork, cooked beef and durian fruit (Durio zibethinus). Diethyl trisulfide is found in animal foods and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 26.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (ethyltrisulfanyl)ethane |
| Class | Organic trisulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.1 |
| Superclass | Organosulfur compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H10S3 |
| Inchi Key | OPMRTBDRQRSNDN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1,3-Diethyltrisulfane, 3,4,5-Trithiaheptane, Diethyl trisulphide, Ethyl trisulfide, 8CI, Trisulfide, diethyl, Ethyl trisulfide, 8ci, Diethyltrisulphane, diethyl trisulphideb |
| Esol Class | Very soluble |
| Functional Groups | CSSSC |
| Compound Name | Diethyl trisulfide |
| Kingdom | Organic compounds |
| Exact Mass | 153.994 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 153.994 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 154.3 |
| 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/C4H10S3/c1-3-5-7-6-4-2/h3-4H2,1-2H3 |
| Smiles | CCSSSCC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Organic trisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205