Basic information
- CAS
73713-87-8- Standard SMILES
O=[N+]([O-])c1ccc2nc([S-])sc2c1.[Na+]- InChIKey
GPEYEJGVNAQZBY-UHFFFAOYSA-M- Molecular formula
- C7H3N2NaO2S2
- Average molar mass
- 234.2 g/mol
- Monoisotopic mass
- 233.95336397
Names & identifiers
- Preferred name
- 2-benzothiazolethiol, 6-nitro-, sodium salt
- IUPAC
- sodium 6-nitro-1,3-benzothiazole-2-thiolate
Names & synonyms
6-Nitrobenzothiazole-2-thiol sodium salt2-BENZOTHIAZOLETHIOL, 6-NITRO-, SODIUM SALTSodium 6-nitrobenzothiazole-2-thiolate, crude73713-87-8DTXSID40224026RefChem:256393DTXCID40146517sodium 6-nitro-1,3-benzothiazole-2-thiolate
Database identifiers
- CAS
73713-87-8- PubChem CID
- 52281
- DTXSID
DTXSID40224026
Properties
Computed structural properties
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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