Basic information
- CAS
19951-24-7- Standard SMILES
O=C(O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1- InChIKey
SMTHPGGRKWIUEJ-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4S
- Average molar mass
- 253.24 g/mol
- Monoisotopic mass
- 253.01572689
Names & identifiers
- Preferred name
- Sbb039278
- IUPAC
- 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Names & synonyms
19951-24-7SBB039278DTXSID50351377RefChem:379950DTXCID30302443[(5-Nitro-1H-benzimidazol-2-yl)thio]acetic acid2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid2-[(6-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid2-((5-Nitro-1H-benzo[d]imidazol-2-yl)thio)acetic acid2-(5-nitrobenzimidazol-2-ylthio)acetic acid({5-nitro-1H-benzimidazol-2-yl}sulfanyl)acetic acid[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Show more names
[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid[(6-Nitro-1H-benzimidazol-2-yl)thio]acetic acidAcetic acid, [(5-nitro-1H-benzimidazol-2-yl)thio]-Cambridge id 7111515Oprea1_809243SCHEMBL15678761BBL034875MFCD03546628
Database identifiers
- CAS
19951-24-7- PubChem CID
- 698672
- DTXSID
DTXSID50351377
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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