5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole
Basic information
- CAS
35190-53-5- Standard SMILES
CSc1nc2cc(C)c(C)cc2[nH]1- InChIKey
MJLLMYGVZRECFX-UHFFFAOYSA-N- Molecular formula
- C10H12N2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.07211956
Names & identifiers
- Preferred name
- 5,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole
- IUPAC
- 5,6-dimethyl-2-methylsulfanyl-1H-benzimidazole
- English name
- 5,6-dimethyl-2-methylsulfanyl-1h-benzoimidazole
- Molecular formula
- C10H12N2S
- Molecular weight
- 192.28
Names & synonyms
35190-53-55,6-Dimethyl-2-methylsulfanyl-1H-benzoimidazole5,6-Dimethyl-2-(methylthio)-1H-benzo[d]imidazole5,6-dimethyl-2-methylsulfanyl-1H-benzimidazole5,6-dimethyl-2-(methylsulfanyl)-1H-1,3-benzodiazoleNSC163167SCHEMBL11821902DTXSID30303879AKOS004120603NSC 163167NSC-1631675,6-dimethyl-2-methylmercaptobenzimidazole
Show more names
1H-Benzimidazole, 5,6-dimethyl-2-(methylthio)-1H-Benzimidazole,5,6-dimethyl-2-(methylthio)-(9CI)
5,6-dimethyl-2-methyl-mercaptobenzimidazoleDB-2634055,6-Dimethyl-2-(methylsulfanyl)-1H-benzimidazole5,6-DIMETHYL-2-METHYL- MERCAPTOBENZIMIDAZOLE5,6-Dimethyl-2-(methylsulfanyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
35190-53-5- PubChem CID
- 294535
- DTXSID
DTXSID30303879
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 378.9 · 378.9±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 10.72 · 10.72±0.10(Predicted)
Chemistry & industry
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