Basic information
- CAS
52140-90-6- Standard SMILES
O=c1c([N+](=O)[O-])c(O)sc2ccccc12- InChIKey
OPXMONNKAQEARX-UHFFFAOYSA-N- Molecular formula
- C9H5NO4S
- Average molar mass
- 223.21 g/mol
- Monoisotopic mass
- 222.99392881
Names & identifiers
- Preferred name
- 2-Hydroxy-3-nitrothiochromen-4-one
- IUPAC
- 2-hydroxy-3-nitrothiochromen-4-one
Names & synonyms
2-hydroxy-3-nitrothiochromen-4-one52140-90-6DTXSID90354307RefChem:261676DTXCID203053672H-1-Benzothiopyran-2-one, 4-hydroxy-3-nitro-Oprea1_532371Oprea1_6250364-hydroxy-3-nitro-1-thiocoumarinAKOS0006395574-hydroxy-3-nitrobenzo[e]thiin-2-one4-Hydroxy-3-nitro-2H-thiochromen-2-one
Show more names
ST507421042-Hydroxy-3-nitro-4H-1-benzothiopyran-4-one
Database identifiers
- CAS
52140-90-6- PubChem CID
- 768403
- DTXSID
DTXSID90354307
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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