Basic information
- CAS
61612-04-2- Standard SMILES
CCc1c(C)sc2ccccc12- InChIKey
OIYQRNXEYQYCDM-UHFFFAOYSA-N- Molecular formula
- C11H12S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.06597156
Names & identifiers
- Preferred name
- 3-Ethyl-2-methyl-1-benzothiophene
- IUPAC
- 3-ethyl-2-methyl-1-benzothiophene
Names & synonyms
3-ethyl-2-methyl-1-benzothiophene61612-04-2Benzo[b]thiophene, 3-ethyl-2-methyl-SCHEMBL15450945DTXSID705405243-ethyl-2-methyl-benzo[b]thiophene
Database identifiers
- CAS
61612-04-2- PubChem CID
- 13428342
- DTXSID
DTXSID70540524
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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