Basic information
- CAS
33599-35-8- Standard SMILES
CC[n+]1c(C)sc2ccc(Cl)cc21.[I-]- InChIKey
JYJVFOJNPHDLFC-UHFFFAOYSA-M- Molecular formula
- C10H11ClINS
- Average molar mass
- 339.62 g/mol
- Monoisotopic mass
- 338.93455
Names & identifiers
- Preferred name
- 5-Chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide
- IUPAC
- 5-chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodide
Names & synonyms
33599-35-8SCHEMBL4012476SCHEMBL56785855-Chloro-3-ethyl-2-methyl-1,3-benzothiazol-3-ium iodideDTXSID10560302
Database identifiers
- CAS
33599-35-8- PubChem CID
- 14439849
- DTXSID
DTXSID10560302
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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