Benzothiazolium, 4-chloro-3-methyl-, iodide
Basic information
- CAS
87910-65-4- Standard SMILES
C[n+]1csc2cccc(Cl)c21.[I-]- InChIKey
YETIGQZEYVOXIP-UHFFFAOYSA-M- Molecular formula
- C8H7ClINS
- Average molar mass
- 311.57 g/mol
- Monoisotopic mass
- 310.90325
Names & identifiers
- Preferred name
- Benzothiazolium, 4-chloro-3-methyl-, iodide
- IUPAC
- 4-chloro-3-methyl-1,3-benzothiazol-3-ium iodide
Names & synonyms
87910-65-4Benzothiazolium, 4-chloro-3-methyl-, iodide4-chloro-3-methyl-1,3-benzothiazol-3-ium iodideDTXSID601007851
Database identifiers
- CAS
87910-65-4- PubChem CID
- 159176
- DTXSID
DTXSID601007851
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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