Basic information
- CAS
70021-45-3- Standard SMILES
Cc1ccc2sc(C)c(C)c2c1C- InChIKey
YIZRQMIIWMNLIP-UHFFFAOYSA-N- Molecular formula
- C12H14S
- Average molar mass
- 190.31 g/mol
- Monoisotopic mass
- 190.08162162
Names & identifiers
- Preferred name
- Benzo(b)thiophene, tetramethyl-
- IUPAC
- 2,3,4,5-tetramethyl-1-benzothiophene
Names & synonyms
Benzo(b)thiophene, tetramethyl-70021-45-3Tetramethylbenzo(b)thiophene2,3,4,5-tetramethyl-1-benzothiopheneSCHEMBL2384277DTXSID60220308
Database identifiers
- CAS
70021-45-3- PubChem CID
- 155356
- DTXSID
DTXSID60220308
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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