Basic information
- CAS
38695-72-6- Standard SMILES
COC(=O)c1csc(-c2ccccc2)c1- InChIKey
RDVCVYFYEUWTGC-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- Methyl 5-phenylthiophene-3-carboxylate
- IUPAC
- methyl 5-phenylthiophene-3-carboxylate
Names & synonyms
Methyl 5-phenylthiophene-3-carboxylate38695-72-63-Thiophenecarboxylic acid, 5-phenyl-, methyl estermethyl 5-phenyl-3-thiophenecarboxylateSCHEMBL2454052RDVCVYFYEUWTGC-UHFFFAOYSA-NDTXSID801221578SBB0956135-phenylthiophene-3-carboxylic acid methyl esterAI-942/42302024
Database identifiers
- CAS
38695-72-6- PubChem CID
- 819151
- DTXSID
DTXSID801221578
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Related reactions
5 records
Compound notes
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