Basic information
- CAS
402726-12-9- Standard SMILES
O=[N+]([O-])c1ccc(=S)n(O)c1- InChIKey
FRRDYNMWTFPMSY-UHFFFAOYSA-N- Molecular formula
- C5H4N2O3S
- Average molar mass
- 172.16 g/mol
- Monoisotopic mass
- 171.99426317
Names & identifiers
- Preferred name
- 1-Hydroxy-5-nitropyridine-2(1H)-thione
- IUPAC
- 1-hydroxy-5-nitropyridine-2-thione
Names & synonyms
402726-12-91-Hydroxy-5-nitropyridine-2(1H)-thioneDTXSID20608961
Database identifiers
- CAS
402726-12-9- PubChem CID
- 20587257
- DTXSID
DTXSID20608961
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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