Basic information
- Standard SMILES
Cc1c([N+](=O)[O-])ccc2c1C(=O)NS2(=O)=O- InChIKey
OSNBNSASIYTIJU-UHFFFAOYSA-N- Molecular formula
- C8H6N2O5S
- Average molar mass
- 242.21 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-5-nitrosaccharin
- IUPAC
- 4-methyl-5-nitro-1,1-dioxo-1,2-benzothiazol-3-one
Names & synonyms
4-Methyl-5-nitrosaccharinSCHEMBL7777768OSNBNSASIYTIJU-UHFFFAOYSA-N4-Methyl-5-nitro-1,1,3-trioxo-2,3-dihydro-1lambda6 benz[d]isothiazole
Database identifiers
- PubChem CID
- 15334534
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 434
Related reactions
12 records
Linked notes
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