Basic information
- Standard SMILES
COC(=O)c1ccccc1Sc1c(C)sc2ccccc12- InChIKey
DQGZLLCQIIXDJQ-UHFFFAOYSA-N- Molecular formula
- C17H14O2S2
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-Methyl-benzo[b]thiophen-3-ylsulfanyl)-benzoic acid methyl ester
- IUPAC
- methyl 2-[(2-methyl-1-benzothiophen-3-yl)sulfanyl]benzoate
Names & synonyms
SCHEMBL4063645DQGZLLCQIIXDJQ-UHFFFAOYSA-N2-(2-methyl-benzo[b]thiophen-3-ylsulfanyl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 68898083
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Related reactions
3 records
Compound notes
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