Basic information
- Standard SMILES
CCOC(=O)CCc1cc2ccccc2s1- InChIKey
SENZWKNXRBUPCM-UHFFFAOYSA-N- Molecular formula
- C13H14O2S
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.07145086
Names & identifiers
- Preferred name
- Benzo[b]thiophene-2-propanoic acid ethyl ester
- IUPAC
- ethyl 3-(1-benzothiophen-2-yl)propanoate
Names & synonyms
SCHEMBL9743497SENZWKNXRBUPCM-UHFFFAOYSA-Nbenzo[b]thiophene-2-propanoic acid ethyl ester
Database identifiers
- PubChem CID
- 54301546
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
4 records
Compound notes
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