Basic information
- CAS
54199-15-4- Standard SMILES
O=[N+]([O-])c1ccccc1SNc1nc2ccccc2s1- InChIKey
WEQITFBERCFFJR-UHFFFAOYSA-N- Molecular formula
- C13H9N3O2S2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.01361889
Overview
structure
Names & identifiers
- Preferred name
- 2-(2'-Nitrobenzenesulfenamido)benzothiazole
- IUPAC
- N-(2-nitrophenyl)sulfanyl-1,3-benzothiazol-2-amine
Names & synonyms
2-(2'-Nitrobenzenesulfenamido)benzothiazole54199-15-4Benzenesulfenamide, N-2-benzothiazolyl-2-nitro-RefChem:83879n-[(2-nitrophenyl)sulfanyl]-1,3-benzothiazol-2-amineDTXSID80969161
Database identifiers
- CAS
54199-15-4- PubChem CID
- 191306
- DTXSID
DTXSID80969161
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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