Basic information
- CAS
16587-51-2- Standard SMILES
CCc1cc2cc(C)ccc2s1- InChIKey
FUHSVKSNUCZRQQ-UHFFFAOYSA-N- Molecular formula
- C11H12S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.06597138
Names & identifiers
- Preferred name
- 2-Ethyl-5-methylbenzo[b]thiophene
- IUPAC
- 2-ethyl-5-methyl-1-benzothiophene
- English name
- 2-Ethyl-5-methylbenzo[b]thiophene
- Molecular formula
- C11H12S
- Molecular weight
- 176.28
Names & synonyms
2-Ethyl-5-methylbenzo[b]thiophene2-Ethyl-5-methyl-1-benzothiophene16587-51-2Benzo[b]thiophene, 2-ethyl-5-methyl-SCHEMBL6958993DTXSID503442492-Ethyl-5-methyl-1-benzothiophene #
Database identifiers
- CAS
16587-51-2- PubChem CID
- 595344
- DTXSID
DTXSID50344249- Nikkaji
- J114.053A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 278.1 · 278.1±9.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
Related reactions
12 records
Compound notes
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