Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=S)Oc2nc3ccccc3s2)cc1- InChIKey
VTBZOGUXLISBGT-UHFFFAOYSA-N- Molecular formula
- C13H8N2O4S3
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 351.96462026
Names & identifiers
- Preferred name
- 1,3-Benzothiazol-2-yloxy-(4-nitrophenyl)-oxo-sulfanylidene-lambda6-sulfane
- IUPAC
- 1,3-benzothiazol-2-yloxy-(4-nitrophenyl)-oxo-sulfanylidene-lambda6-sulfane
Names & synonyms
SCHEMBL10665078
Database identifiers
- PubChem CID
- 54409481
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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