Benzo(b)thiophene, 2,3-dimethyl-
Basic information
- CAS
4923-91-5- Standard SMILES
Cc1sc2ccccc2c1C- InChIKey
ACHMHHCOSAKQSS-UHFFFAOYSA-N- Molecular formula
- C10H10S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.05032149
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 2,3-dimethyl-
- IUPAC
- 2,3-dimethyl-1-benzothiophene
- English name
- 2,3-Dimethylbenzothiophene
- Molecular formula
- C10H10S
- Molecular weight
- 162.25
Names & synonyms
4923-91-5Benzo(b)thiophene, 2,3-dimethyl-benzo[b]thiophene, 2,3-dimethyl-DTXSID60197743RefChem:1078811DTXCID201202342,3-Dimethylbenzo[b]thiophene2,3-DIMETHYLBENZOTHIOPHENE2,3-dimethyl-1-benzothiophene2,3-Dimethylbenzo(b)thiopheneDIMETHYLBENZOTHIOPHENEBenzothiophene, 2,3-dimethyl
Show more names
2,3-Dimethylbenzothiophene in isooctane
SCHEMBL144440SCHEMBL3483014SCHEMBL3483112SCHEMBL5295130ACHMHHCOSAKQSS-UHFFFAOYSA-NMFCD00216252AKOS006274445H36383
Database identifiers
- CAS
4923-91-5- PubChem CID
- 640773
- DTXSID
DTXSID60197743- Nikkaji
- J707.893E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 122 · 122-124 °C(Press: 13 Torr)
- Density
- 1.1054 g/cm3 · 1.1054 g/cm3
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Related reactions
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Compound notes
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