7-Ethyl-2-methyl-1-benzothiophene
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Basic information
- CAS
16587-44-3- Standard SMILES
CCc1cccc2cc(C)sc12- InChIKey
IAXZFMADQLEDOF-UHFFFAOYSA-N- Molecular formula
- C11H12S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.06597156
Names & identifiers
- Preferred name
- 7-Ethyl-2-methyl-1-benzothiophene
- IUPAC
- 7-ethyl-2-methyl-1-benzothiophene
- English name
- 7-Ethyl-2-methylbenzo[b]thiophene
- Molecular formula
- C11H12S
- Molecular weight
- 176.28
Names & synonyms
7-Ethyl-2-methyl-1-benzothiophene7-Ethyl-2-methylbenzo[b]thiophene16587-44-3Benzo[b]thiophene, 7-ethyl-2-methyl-SCHEMBL19756696DTXSID90344248IAXZFMADQLEDOF-UHFFFAOYSA-N7-Ethyl-2-methyl-1-benzothiophene #
Database identifiers
- CAS
16587-44-3- PubChem CID
- 595343
- DTXSID
DTXSID90344248- Nikkaji
- J114.052C
Properties
Computed structural propertiesFilling in
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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