Basic information
- CAS
36911-73-6- Standard SMILES
CCN(CC)CCSc1nc2cc([N+](=O)[O-])ccc2n1C- InChIKey
PEORAXVROSWSJM-UHFFFAOYSA-N- Molecular formula
- C14H20N4O2S
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.13069707
Names & identifiers
- Preferred name
- Benzimidazole, 2-(2-(diethylamino)ethylthio)-1-methyl-5-nitro-
- IUPAC
- N,N-diethyl-2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanylethanamine
Names & synonyms
36911-73-6BENZIMIDAZOLE, 2-(2-(DIETHYLAMINO)ETHYLTHIO)-1-METHYL-5-NITRO-BRN 08266981-Methyl-2-(beta-diethylaminoethylthio)-5-nitrobenzimidazoleN,N-diethyl-2-[(1-methyl-5-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamineDTXSID20190391N,N-Diethyl-2-[(1-methyl-5-nitro-1H-1,3-benzimidazol-2-yl)sulfanyl]ethan-1-amine
Database identifiers
- CAS
36911-73-6- PubChem CID
- 37578
- DTXSID
DTXSID20190391- Nikkaji
- J69.207G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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