5-Chloro-1,3-benzothiazole-6-thiol
Basic information
- CAS
89583-91-5- Standard SMILES
Sc1cc2scnc2cc1Cl- InChIKey
DYOCMYQPCJZBDO-UHFFFAOYSA-N- Molecular formula
- C7H4ClNS2
- Average molar mass
- 201.7 g/mol
- Monoisotopic mass
- 200.9473692
Names & identifiers
- Preferred name
- 5-Chloro-1,3-benzothiazole-6-thiol
- IUPAC
- 5-chloro-1,3-benzothiazole-6-thiol
- English name
- 6-Benzothiazolethiol,5-chloro-(7CI)
- Molecular formula
- C7H4ClNS2
- Molecular weight
- 201.69636
Names & synonyms
89583-91-55-Chloro-1,3-benzothiazole-6-thiol6-Benzothiazolethiol, 5-chloro-5-Chloro-6-benzothiazolethiolDTXSID901307864DB-2730876-Benzothiazolethiol,5-chloro-(7CI)
Database identifiers
- CAS
89583-91-5- PubChem CID
- 45077366
- DTXSID
DTXSID901307864
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.1 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
Loading…