Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate
Basic information
- CAS
5993-41-9- Standard SMILES
CC[NH+](CC)CC[n+]1c(Sc2ccc(C(C)(C)C)cc2)[nH]c2ccccc21.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
DHWWYBFRPPLTLT-UHFFFAOYSA-N- Molecular formula
- C35H37N9O14S
- Average molar mass
- 839.8 g/mol
- Monoisotopic mass
- 839.21806806
Names & identifiers
- Preferred name
- Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate
- IUPAC
- 2-[2-(4-tert-butylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium;bis(2,4,6-trinitrophenolate)
Names & synonyms
Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate2-((p-tert-Butylphenyl)thio)-1-(2-(diethylamino)ethyl)benzimidazole dipicrate5993-41-9RefChem:325856
Database identifiers
- CAS
5993-41-9- PubChem CID
- 22313
Properties
Computed structural properties
- Topological polar surface area
- 370 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 729
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…