Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide
Basic information
- CAS
58131-53-6- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(Sc3cccc[n+]3[O-])c3nonc23)cc1- InChIKey
BCHFBYJCFWYZKB-UHFFFAOYSA-N- Molecular formula
- C18H13N3O4S2
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.03474825
Names & identifiers
- Preferred name
- Benzofurazan, 4-((4-methylphenyl)sulfonyl)-7-(2-pyridinylthio)-, N-oxide
- IUPAC
- 4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
- English name
- 2-[4-[(4-Methylphenyl)sulfonyl]benzofurazan-7-yl]thiopyridine 1-oxide
- Molecular formula
- C18H13N3O4S2
- Molecular weight
- 399.44
Names & synonyms
58131-53-6BENZOFURAZAN, 4-((4-METHYLPHENYL)SULFONYL)-7-(2-PYRIDINYLTHIO)-, N-OXIDENSC228157Benzofurazan, N-oxide4-(p-Tolylsulfonyl)-7-(2-pyridylthio-N-oxide)benzofurazan4-((4-Methylphenyl)sulfonyl)-7-(2-pyridinylthio)benzofurazan N-oxideDTXSID10206854NSC 228157NSC-228157DB-3028152-[4-[(4-Methylphenyl)sulfonyl ]benzofurazan-7-yl ]thiopyridine 1-oxide4-(4-Methylbenzene-1-sulfonyl)-7-[(1-oxo-1lambda~5~-pyridin-2-yl)sulfanyl]-2,1,3-benzoxadiazole
Show more names
2-[4-[(4-Methylphenyl)sulfonyl]benzofurazan-7-yl]thiopyridine 1-oxide2,1,3-Benzoxadiazole, 4-[(4-methylphenyl)sulfonyl]-7-[(1-oxido-2-pyridinyl)thio]-
Database identifiers
- CAS
58131-53-6- PubChem CID
- 42637
- DTXSID
DTXSID10206854- Nikkaji
- J71.578F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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