Ethyl (methylthio)acetate
PubChem CID: 78199
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| Compound Synonyms | Ethyl (methylthio)acetate, 4455-13-4, Ethyl 2-(methylthio)acetate, ethyl 2-methylsulfanylacetate, Acetic acid, (methylthio)-, ethyl ester, Ethyl 2-(methylthio)-acetate, ethyl 2-(methylsulfanyl)acetate, Ethyl alpha-(methylthio)acetate, 6148QQN25T, (Methylthio)acetic acid ethyl ester, Ethyl 2-methylthioacetate, EINECS 224-700-2, methylsulfanyl-acetic acid ethyl ester, NSC-165655, ETHYL(METHYLTHIO)ACETATE, FEMA NO. 3835, Ethyl .alpha.(methylthio)acetate, Methylthioacetic acid ethyl ester, DTXSID40196219, NSC 165655, (METHYLTHIO)ACETIC ACID ETHYL ESTS, ETHYL 2-(METHYLTHIO)ACETATE [FHFI], ACETIC ACID, 2-(METHYLTHIO)-, ETHYL ESTER, UNII-6148QQN25T, ethyl 2-(methyl thio) acetate, MFCD00009182, MeSCH2CO2Et, Ethyl2-(methylthio)acetate, ethyl 2-methylsulanylacetate, Ethyl a-(methylthio)acetate, ethyl(methylsulphanyl)acetate, Ethyl (methylsulfanyl)acetate, ethyl (methylsulphanyl)acetate, ethyl(methylsulphanyl)-acetate, Ethyl alpha(methylthio)acetate, SCHEMBL891469, ethyl (methylsulphanyl)-acetate, Ethyl (methylsulfanyl)acetate #, Ethyl (methylthio)acetate, 98%, ethyl alpha-(methylthio)-acetate, FEMA 3835, MDIAKIHKBBNYHF-UHFFFAOYSA-, DTXCID00118710, CHEBI:173553, Methyl thioacetic acid ethyl ester, NSC165655, AKOS008952050, FE35570, Ethyl (methylthio)acetate, >=98%, FG, LS-13077, DB-051229, CS-0133049, M0897, NS00008203, EN300-83008, I10203, Q27263284, (Methylthio)acetic acid ethyl ester, Ethyl alpha-(methylthio)acetate, InChI=1/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3, 224-700-2 |
|---|---|
| Topological Polar Surface Area | 51.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Found in melon, durian and other fruits. Flavouring agent |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.8 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-methylsulfanylacetate |
| Nih Violation | False |
| Class | Carboxylic acids and derivatives |
| Xlogp | 1.2 |
| Superclass | Organic acids and derivatives |
| Is Pains | False |
| Subclass | Carboxylic acid derivatives |
| Molecular Formula | C5H10O2S |
| Inchi Key | MDIAKIHKBBNYHF-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | (methylthio)acetic acid ethyl ester, Acetic acid, (methylthio)-, ethyl ester, Ethyl (methylsulfanyl)acetate, Ethyl (methylthio)acetate, Ethyl 2-(methylthio)-acetate, Ethyl 2-(methylthio)acetate, Ethyl alpha-(methylthio)acetate, Ethyl alpha(methylthio)acetate, FEMA 3835, Methylsulfanyl-acetic acid ethyl ester, Methylthioacetic acid ethyl ester, Ethyl 2-(methylthio)acetic acid, (methylthio)Acetic acid ethyl ester, Ethyl 2-(methylsulfanyl)acetic acid, Ethyl 2-(methylsulphanyl)acetate, Ethyl 2-(methylsulphanyl)acetic acid |
| Compound Name | Ethyl (methylthio)acetate |
| Kingdom | Organic compounds |
| Exact Mass | 134.04 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 134.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 134.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3 |
| Smiles | CCOC(=O)CSC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Carboxylic acid esters |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:fooddb_chem_all