Basic information
- CAS
64398-12-5- Standard SMILES
Cl.ClCCSCc1nc2ccccc2[nH]1- InChIKey
JQKIQDHDEGYBLY-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2N2S
- Average molar mass
- 263.19 g/mol
- Monoisotopic mass
- 262.009825
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(((2-chloroethyl)thio)methyl)-, monohydrochloride
- IUPAC
- 2-(2-chloroethylsulfanylmethyl)-1H-benzimidazole;hydrochloride
Names & synonyms
64398-12-51H-Benzimidazole, 2-(((2-chloroethyl)thio)methyl)-, monohydrochloride2-(((2-Chloroethyl)thio)methyl)-1H-benzimidazole monohydrochlorideDTXSID202146071H-Benzimidazole, monohydrochlorideNSC33683NSC 33683NSC-336832-{[(2-Chloroethyl)sulfanyl]methyl}-1H-1,3-benzimidazole--hydrogen chloride (1/1)
Database identifiers
- CAS
64398-12-5- PubChem CID
- 152103
- DTXSID
DTXSID20214607
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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