1H-Benzimidazole, 2-(ethylthio)-5-nitro-
Basic information
- CAS
89029-00-5- Standard SMILES
CCSc1nc2ccc([N+](=O)[O-])cc2[nH]1- InChIKey
XEDUCRUUKUIWQF-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.04154771
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-(ethylthio)-5-nitro-
- IUPAC
- 2-ethylsulfanyl-6-nitro-1H-benzimidazole
Names & synonyms
89029-00-51H-Benzimidazole, 2-(ethylthio)-5-nitro-2-ethylsulfanyl-6-nitro-1H-benzimidazoleCambridge id 5345114Oprea1_593594DTXSID50355315AKOS003573853AKOS0035741122-(ethylthio)-5-nitro-1H-benzimidazole2-(ethylsulfanyl)-6-nitro-1H-benzimidazoleAB00081694-012-(Ethylsulfanyl)-6-nitro-1H-1,3-benzimidazole
Show more names
AE-848/32740021SR-01000205916SR-01000205916-1
Database identifiers
- CAS
89029-00-5- PubChem CID
- 796568
- DTXSID
DTXSID50355315
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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