Basic information
- CAS
60805-64-3- Standard SMILES
CCOC(=O)CCSc1ccccc1- InChIKey
PEPOQQRRKLMLJV-UHFFFAOYSA-N- Molecular formula
- C11H14O2S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.07145086
Names & identifiers
- Preferred name
- Ethyl 3-phenylthiopropionate
- IUPAC
- ethyl 3-phenylsulfanylpropanoate
- English name
- Propanoic acid,3-(phenylthio)-, ethyl ester
- Molecular formula
- C11H14O2S
- Molecular weight
- 210.29
Names & synonyms
Ethyl 3-phenylthiopropionate60805-64-3ethyl 3-phenylsulfanylpropanoateEthyl 3-(phenylthio)propanoate4LKV3A4TZDethyl 3-(phenylsulfanyl)propanoateUNII-4LKV3A4TZDNSC 268109NSC-268109Propanoic acid,3-(phenylthio)-, ethyl esterethyl 3-(phenylthio)propionateNSC268109
Show more names
Propanoic acid, 3-(phenylthio)-, ethyl esterSCHEMBL6137137SCHEMBL7344673DTXSID20976278PEPOQQRRKLMLJV-UHFFFAOYSA-NAKOS005199376DS-011012
Database identifiers
- CAS
60805-64-3- PubChem CID
- 320403
- DTXSID
DTXSID20976278- UNII
- 4LKV3A4TZD
- Nikkaji
- J699.790B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
LogP2.72
Physicochemical properties
- Boiling point
- 308 ℃ · 308℃
- Density
- 1.1 · 1.10
- Flash point
- 140 ℃ · 140℃
- FDA UNII
- 4 LKV3A4TZD · 4LKV3A4TZD
Chemistry & industry
Suppliers3 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
重庆卡兰医药有限公司[email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
4 records
Compound notes
Loading…