Basic information
- CAS
18378-06-8- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ccccc2)c2c1no[n+]2[O-]- InChIKey
NHDVXPDPUYQSNH-UHFFFAOYSA-N- Molecular formula
- C12H7N3O4S
- Average molar mass
- 289.27 g/mol
- Monoisotopic mass
- 289.01572689
Names & identifiers
- Preferred name
- Benzofurazan, 4-nitro-7-phenylthio-, 1-oxide
- IUPAC
- 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium
- English name
- 4-Nitro-7-phenylthiobenzofurazane 1-oxide
- Molecular formula
- C12H7N3O4S
- Molecular weight
- 0
Names & synonyms
BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-, 1-OXIDE18378-06-8NSC-2281124-Nitro-7-phenylthiobenzofurazan 1-oxideNSC 228112BRN 16273367-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-iumBenzofurazan, 4-nitro-7-(phenylthio)-, 1-oxideNSC2281127VJ3WXH9NUDTXSID101714722,1,3-Benzoxadiazole, 4-nitro-7-(phenylthio)-, 1-oxide
Show more names
4-Nitro-7-phenylthiobenzofurazane 1-oxide
4-nitro-7-phenylsulfanyl-benzo[1,2,5]oxadiazole 1-oxide4-Nitro-1-oxo-7-(phenylsulfanyl)-2,1lambda~5~,3-benzoxadiazole
Database identifiers
- CAS
18378-06-8- PubChem CID
- 29048
- DTXSID
DTXSID10171472- UNII
- 7VJ3WXH9NU
- Nikkaji
- J71.585I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- FDA UNII
- 7 VJ3WXH9NU · 7VJ3WXH9NU
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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