Diethyl Sulfide
PubChem CID: 9609
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| Compound Synonyms | Diethyl sulfide, Ethyl sulfide, 352-93-2, Ethyl thioether, ethylsulfanylethane, 3-Thiapentane, Thioethyl ether, Ethylthioethane, Diethylthioether, Diethyl sulphide, 1,1-Thiobisethane, 1,1'-THIOBISETHANE, Diethyl thioether, Ethyl monosulfide, Ethane, 1,1'-thiobis-, Diethylsulfid, Sulfodor, Sulfodor [Czech], 1-(Ethylsulfanyl)ethane, 1,1'-thiodiethane, (ethylsulfanyl)ethane, Diethylsulfid [Czech], ethylsulfanyl-ethane, NSC 75157, HSDB 5563, EINECS 206-526-9, UN2375, DTXSID5027146, CHEBI:27710, AI3-18785, 9191Y76OTC, (C2H5)2S, 1,1'-sulfanediyldiethane, MFCD00009270, NSC-75157, ETHYL SULFIDE [MI], DIETHYL SULFIDE [FHFI], DIETHYL SULFIDE [HSDB], DTXCID507146, FEMA NO. 3825, THIOBISETHANE, 1,1'-, EC 206-526-9, Sulfodor (Czech), Diethylsulfid (Czech), diethylsulfide, Diethylsulfane, Ethylsulfide, ethyl sulfides, Diethyl sulfane, UNII-9191Y76OTC, 3Thiapentane, (ethylthio)ethane, 1,1'Thiobisethane, Ethyl sulfide, 8CI, 1,1'-Thiobisethane, Ethane,1'-thiobis-, Ethane, 1,1'thiobis, 1,1'-Thiobis-Ethane, Diethyl sulfide, 98%, Diethyl sulfide [UN2375] [Flammable liquid], 1-(Ethylsulfanyl)ethane #, 1,1'-Thiobisethane, 9CI, Diethyl sulfide, 98%, FG, CHEMBL117181, WLN: 2S2, CHEBI:23996, FEMA 3825, NSC75157, Diethyl sulfide, analytical standard, Tox21_200927, AKOS015843725, UN 2375, USEPA/OPP Pesticide Code: 125101, NCGC00248878-01, NCGC00258481-01, CAS-352-93-2, DB-048771, Diethyl sulfide, puriss., >=99.0% (GC), E0176, NS00005184, EN300-97334, C02272, W13859, Diethyl sulfide [UN2375] [Flammable liquid], A822711, Q420998, 206-526-9 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Description | Food additive listed in the EAFUS Food Additive Database (Jan 2001). Found in various foods and brandies. Food flavour ingredient Diethyl sulfide is a clear flammable chemical compound with a pungent garlic-like odor. It has the chemical formula C4H10S. It is prepared by treating ethanol with concentrated sulfuric acid, partially neutralizing the new solution with sodium carbonate, then distilling the resulting sodium ethyl sulfate in a solution containing potassium sulfide. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 11.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275, Q03181, P04792, P19838 |
| Iupac Name | ethylsulfanylethane |
| Prediction Hob | 1.0 |
| Class | Thioethers |
| Xlogp | 1.9 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkylthioethers |
| Molecular Formula | C4H10S |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJSQFQKUNVCTIA-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.534 |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Logd | 2.154 |
| Synonyms | (C2-C7) Alkyldisulfides, (C2H5)2S, 1-(Ethylsulfanyl)ethane, 1-(Ethylsulphanyl)ethane, 1,1-Thiobisethane, 1,1'-Thiobis-ethane, 1,1'-Thiobisethane, 1,1'-Thiobisethane, 9CI, 1,1'-thiodiethane, 3-Thiapentane, Diethyl sulfide [UN2375] [Flammable liquid], Diethyl sulphide, Diethyl thioether, Diethylsulfid, Diethylthioether, Disulfides, C2-7-alkyl, Ethane, 1,1'-thiobis-, Ethyl monosulfide, Ethyl monosulphide, Ethyl sulfide, Ethyl sulfide, 8CI, Ethyl sulphide, Ethyl thioether, Ethylsulfanyl-ethane, Ethylthioethane, FEMA 3825, Sulfodor, Thioethyl ether, Ethylsulphanylethane, Diethyl sulfide, 1,1'-Thiobisethane, 9ci, 1,1'-Thiodiethane, Ethyl sulfide, 8ci |
| Substituent Name | Dialkylthioether, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Compound Name | Diethyl Sulfide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0503 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0503 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 90.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.4956842 |
| Inchi | InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3 |
| Smiles | CCSCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Dialkylthioethers |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all