Basic information
- CAS
16587-43-2- Standard SMILES
CCc1cc2cccc(C)c2s1- InChIKey
RVZQNRZFJUGDMH-UHFFFAOYSA-N- Molecular formula
- C11H12S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.06597156
Names & identifiers
- Preferred name
- 2-Ethyl-7-methyl-1-benzothiophene
- IUPAC
- 2-ethyl-7-methyl-1-benzothiophene
- English name
- 2-Ethyl-7-methylbenzo[b]thiophene
- Molecular formula
- C11H12S
- Molecular weight
- 176.28
Names & synonyms
2-Ethyl-7-methyl-1-benzothiophene2-Ethyl-7-methylbenzo[b]thiophene16587-43-2Benzo[b]thiophene, 2-ethyl-7-methyl-SCHEMBL17345850DTXSID30344247RVZQNRZFJUGDMH-UHFFFAOYSA-N2-Ethyl-7-methyl-1-benzothiophene #
Database identifiers
- CAS
16587-43-2- PubChem CID
- 595342
- DTXSID
DTXSID30344247- Nikkaji
- J114.054J
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
Chemistry & industry
Suppliers1 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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