5-Chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazole-2-thione
Basic information
- CAS
88882-37-5- Standard SMILES
Cn1c(=S)n(C)c2cc(Cl)ccc21- InChIKey
OZNNJGDKCOJVIR-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2S
- Average molar mass
- 212.7 g/mol
- Monoisotopic mass
- 212.0174972
Names & identifiers
- Preferred name
- 5-Chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazole-2-thione
- IUPAC
- 5-chloro-1,3-dimethylbenzimidazole-2-thione
Names & synonyms
88882-37-5SCHEMBL11462221DTXSID806146445-Chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazole-2-thione5-Chloro-1,3-dimethyl-1,3-dihydro-2H-1,3-benzimidazole-2-thione
Database identifiers
- CAS
88882-37-5- PubChem CID
- 21486129
- DTXSID
DTXSID80614644
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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