Basic information
- CAS
5524-98-1- Standard SMILES
CCC(C)c1ccc(Sc2[nH]c3ccccc3[n+]2CC[NH+](CC)CC)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
WZEOAHUYVUQWOI-UHFFFAOYSA-N- Molecular formula
- C35H37N9O14S
- Average molar mass
- 839.8 g/mol
- Monoisotopic mass
- 839.21806806
Names & identifiers
- Preferred name
- Benzimidazole, 2-((p-sec-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate
- IUPAC
- 2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;bis(2,4,6-trinitrophenolate)
Names & synonyms
2-((p-sec-Butylphenyl)thio)-1-(2-(diethylamino)ethyl)benzimidazole dipicrate5524-98-1BENZIMIDAZOLE, 2-((p-sec-BUTYLPHENYL)THIO)-1-(2-(DIETHYLAMINO)ETHYL)-, DIPICRATERefChem:325855
Database identifiers
- CAS
5524-98-1- PubChem CID
- 21697
Properties
Computed structural properties
- Topological polar surface area
- 370 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 9
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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