Basic information
- CAS
35271-94-4- Standard SMILES
Nc1ccc(Cl)c2cnsc12- InChIKey
WCUQNRWBNCTRIE-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2S
- Average molar mass
- 184.65 g/mol
- Monoisotopic mass
- 183.986197
Names & identifiers
- Preferred name
- 4-Chloro-1,2-benzothiazol-7-amine
- IUPAC
- 4-chloro-1,2-benzothiazol-7-amine
Names & synonyms
35271-94-44-Chloro-1,2-benzothiazol-7-amineDTXSID40740534RefChem:291255DTXCID806912784-Chlorobenzo[d]isothiazol-7-amine4-Chloro-1,2-benzisothiazol-7-amineSCHEMBL5448026WCUQNRWBNCTRIE-UHFFFAOYSA-NDS-016810
Database identifiers
- CAS
35271-94-4- PubChem CID
- 69445552
- DTXSID
DTXSID40740534
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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