Basic information
- CAS
67049-00-7- Standard SMILES
CCOC(=O)c1csnc1-c1ccccc1- InChIKey
OIWFQDDZOVSDGS-UHFFFAOYSA-N- Molecular formula
- C12H11NO2S
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.05104977
Names & identifiers
- Preferred name
- Ethyl 3-phenyl-1,2-thiazole-4-carboxylate
- IUPAC
- ethyl 3-phenyl-1,2-thiazole-4-carboxylate
Names & synonyms
Ethyl 3-phenyl-1,2-thiazole-4-carboxylate67049-00-7DTXSID30463765RefChem:343528DTXCID20414584ethyl 3-phenylisothiazole-4-carboxylate4-Isothiazolecarboxylic acid, 3-phenyl-, ethyl esterSCHEMBL11003564AKOS024299852ethyl-3-phenylisothiazole-4-carboxylateST45256109EN300-11722840
Database identifiers
- CAS
67049-00-7- PubChem CID
- 11368288
- DTXSID
DTXSID30463765- Nikkaji
- J2.166.454E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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