Basic information
- CAS
63991-51-5- Standard SMILES
CN(C)CCCSc1nc2ccccc2[nH]1- InChIKey
REEFNQCXWFOXEL-UHFFFAOYSA-N- Molecular formula
- C12H17N3S
- Average molar mass
- 235.35 g/mol
- Monoisotopic mass
- 235.11431873
Names & identifiers
- Preferred name
- Benzimidazole, 2-(3-(dimethylamino)propylthio)-
- IUPAC
- 3-(1H-benzimidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
- English name
- 2-[3-(Dimethylamino)propylthio]-1H-benzimidazole
- Molecular formula
- C12H17N3S
- Molecular weight
- 235.35
Names & synonyms
USAF IN-863991-51-5BENZIMIDAZOLE, 2-(3-(DIMETHYLAMINO)PROPYLTHIO)-2-(3-(Dimethylamino)propylthio)benzimidazoleDTXSID50213941RefChem:325865DTXCID80136432NSC43176NSC-43176NCIStruc1_001272NCIStruc2_0014432-[3-(Dimethylamino)propylthio]-1h-benzimidazole
Show more names
Aclonifen Impurity 111-Propanamine, 3-(1H-benzimidazol-2-ylthio)-N,N-dimethyl-
SCHEMBL9514166CHEMBL1521699NCI43176CCG-36709NCGC00013521NCGC00013521-02NCGC00096634-01NCI60_004000
Database identifiers
- CAS
63991-51-5- PubChem CID
- 46284
- DTXSID
DTXSID50213941- ChEMBL
CHEMBL1521699- Nikkaji
- J69.210G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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