Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate
Basic information
- CAS
24863-38-5- Standard SMILES
C[n+]1c(SCCC[NH3+])[nH]c2ccccc21.O=C([O-])C(=O)[O-]- InChIKey
GHRUHKMJSODQEL-UHFFFAOYSA-N- Molecular formula
- C13H17N3O4S
- Average molar mass
- 311.36 g/mol
- Monoisotopic mass
- 311.09397721
Names & identifiers
- Preferred name
- Benzimidazole, 2-((3-aminopropyl)thio)-1-methyl-, oxalate
- IUPAC
- 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propylazanium;oxalate
Names & synonyms
1-Methyl-2-(gamma-aminopropylthio)benzimidazole oxalate24863-38-5BENZIMIDAZOLE, 2-((3-AMINOPROPYL)THIO)-1-METHYL-, OXALATERefChem:325839
Database identifiers
- CAS
24863-38-5- PubChem CID
- 32724
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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