3-Oxo-1,2,3lambda~5~-benzothiadiazole
Basic information
- CAS
111862-16-9- Standard SMILES
[O-][n+]1nsc2ccccc21- InChIKey
MIAPFQODYCWNGT-UHFFFAOYSA-N- Molecular formula
- C6H4N2OS
- Average molar mass
- 152.18 g/mol
- Monoisotopic mass
- 152.00443393
Names & identifiers
- Preferred name
- 3-Oxo-1,2,3lambda~5~-benzothiadiazole
- IUPAC
- 3-oxido-1,2,3-benzothiadiazol-3-ium
Names & synonyms
111862-16-93-Oxo-1,2,3lambda~5~-benzothiadiazoleDTXSID90545511
Database identifiers
- CAS
111862-16-9- PubChem CID
- 13634124
- DTXSID
DTXSID90545511
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
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Compound notes
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