Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N,1-dioxide
Basic information
- CAS
58131-58-1- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(Sc3cccc[n+]3[O-])c3c2no[n+]3[O-])cc1- InChIKey
RZZUPOIYDYFXCW-UHFFFAOYSA-N- Molecular formula
- C18H13N3O5S2
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 415.02966287
Names & identifiers
- Preferred name
- Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N,1-dioxide
- IUPAC
- 7-(4-methylphenyl)sulfonyl-3-oxido-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazol-3-ium
- English name
- 4-[(4-Methylphenyl)sulfonyl]-7-(1-oxylatopyridinium-2-ylthio)benzofurazane 1-oxide
- Molecular formula
- C18H13N3O5S2
- Molecular weight
- 415.44
Names & synonyms
58131-58-1BENZOFURAZAN, 4-((4-METHYLPHENYL)SULFONYL)-7-(2-PYRIDINYLTHIO)-, N,1-DIOXIDE4-(p-Tolylsulfonyl)-7-(2-pyridylthio-N-oxide)benzofuroxanDTXSID102068594-(4-Methylbenzene-1-sulfonyl)-1-oxo-7-[(1-oxo-1lambda~5~-pyridin-2-yl)sulfanyl]-2,1lambda~5~,3-benzoxadiazole4-[(4-Methylphenyl)sulfonyl]-7-(1-oxylatopyridinium-2-ylthio)benzofurazane 1-oxide2,1,3-Benzoxadiazole, 4-[(4-methylphenyl)sulfonyl]-7-[(1-oxido-2-pyridinyl)thio]-, 1-oxide
Database identifiers
- CAS
58131-58-1- PubChem CID
- 42641
- DTXSID
DTXSID10206859- Nikkaji
- J71.577H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 638
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…