Basic information
- CAS
70021-44-2- Standard SMILES
Cc1sc2cccc(C)c2c1C- InChIKey
GTMJIBWPIOYZSG-UHFFFAOYSA-N- Molecular formula
- C11H12S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.06597156
Names & identifiers
- Preferred name
- Benzo(b)thiophene, trimethyl-
- IUPAC
- 2,3,4-trimethyl-1-benzothiophene
Names & synonyms
Benzo(b)thiophene, trimethyl-2,3,4-Trimethylbenzothiophene70021-44-280421-98-3Benzothiophene, 2,3,4-trimethylTrimethylbenzo(b)thiophene2,3,4-Trimethylbenzo[b]thiophene2,3,4-trimethyl-1-benzothiophenetrimethylbenzothiopheneSCHEMBL23876942,3,4-trimethyl-benzothiopheneDTXSID00220307
Show more names
GTMJIBWPIOYZSG-UHFFFAOYSA-NDB-216618
Database identifiers
- CAS
70021-44-2- PubChem CID
- 155355
- DTXSID
DTXSID00220307- Nikkaji
- J1.797.798I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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