Basic information
- CAS
126395-07-1- Standard SMILES
O=[N+]([O-])c1cc(Cl)ccc1Sc1nc2ccccc2s1- InChIKey
BETCYKAMUDIKMX-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O2S2
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 321.9637475
Names & identifiers
- Preferred name
- 2-(2-Nitro-4-chlorophenylthio)benzothiazole
- IUPAC
- 2-(4-chloro-2-nitrophenyl)sulfanyl-1,3-benzothiazole
- English name
- 2-({4-chloro-2-nitrophenyl}sulfanyl)-1,3-benzothiazole
- Molecular formula
- C13H7ClN2O2S2
- Molecular weight
- 322.78988
Names & synonyms
2-(2-Nitro-4-chlorophenylthio)benzothiazole2-(4-chloro-2-nitrophenyl)sulfanyl-1,3-benzothiazole2-({4-chloro-2-nitrophenyl}sulfanyl)-1,3-benzothiazoleAI-204/31680002
Database identifiers
- CAS
126395-07-1- PubChem CID
- 900979
- Nikkaji
- J708.062J
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…