S-Ethyl thiolacetate
PubChem CID: 61171
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| Compound Synonyms | S-Ethyl ethanethioate, 625-60-5, S-Ethyl thioacetate, S-Ethyl thiolacetate, Ethanethioic acid S-ethyl ester, Ethyl thiolacetate, ETHANETHIOIC ACID, S-ETHYL ESTER, Ethanethioic acid, ethyl ester, 59094-77-8, Acetic acid, thio-, S-ethyl ester, FEMA No. 3282, Acetic acid, thio-, ethyl ester, Thioethyl compound, 1-(ethylsulfanyl)ethan-1-one, EINECS 210-904-9, 6E715F929W, ETHANETHIOL, ACETATE, ETHYL THIOACETATE, S-, AI3-14852, Thioacetic Acid S-Ethyl Ester, DTXSID5060807, ETHYL THIOLACETATE [FHFI], EINECS 261-601-3, MFCD00015178, CH3COSC2H5, Ethyl thioacetate, >=98%, Thioacetic acid, ethyl ester, SCHEMBL764245, DTXCID2043375, UNII-6E715F929W, FEMA 3282, CHEBI:179440, AKOS015950880, AS-87622, DB-054198, CS-0206289, E0708, NS00022550, H11301, EN300-7252096, Q27264667, 210-904-9, 261-601-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 42.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCSC=O)C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Thiocarboxylic acids and derivatives |
| Description | Flavouring ingredient |
| Classyfire Subclass | Thioesters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 51.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | S-ethyl ethanethioate |
| Class | Thiocarboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.0 |
| Superclass | Organic acids and derivatives |
| Subclass | Thioesters |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8OS |
| Inchi Key | APTGPWJUOYMUCE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Synonyms | Acetic acid, thio-, ethyl ester, Ethanethioic acid S-ethyl ester, Ethanethioic acid, ethyl ester, Ethanethioic acid, S-ethyl ester, Ethyl ethanethioate, Ethyl thioacetate, Ethyl thiolacetate, FEMA 3282, S-Ethyl ethanethioate, S-Ethyl thioacetate, S-Ethyl thiolacetate, Thioacetic acid, ethyl ester, Thioethyl compound, S-Ethyl thioacetic acid, 1-(Ethylsulphanyl)ethan-1-one, s-ethyl thioacetate |
| Substituent Name | Thiocarboxylic acid ester, Sulfenyl compound, Thioether, Carboxylic acid derivative, Hydrocarbon derivative, Organosulfur compound, Organooxygen compound, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CSC(C)=O |
| Compound Name | S-Ethyl thiolacetate |
| Kingdom | Organic compounds |
| Exact Mass | 104.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 104.17 |
| 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/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3 |
| Smiles | CCSC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Thioesters |
- 1. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205