Basic information
- CAS
89542-51-8- Standard SMILES
Cc1ccc2c(c1)sc[n+]2Cc1ccccc1.[I-]- InChIKey
ARPOUBXSEHAVKT-UHFFFAOYSA-M- Molecular formula
- C15H14INS
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 366.98917
Names & identifiers
- Preferred name
- 3-Benzyl-6-methyl-1,3-benzothiazol-3-ium iodide
- IUPAC
- 3-benzyl-6-methyl-1,3-benzothiazol-3-ium iodide
Names & synonyms
89542-51-83-Benzyl-6-methyl-1,3-benzothiazol-3-ium iodideDTXSID90522726
Database identifiers
- CAS
89542-51-8- PubChem CID
- 13154530
- DTXSID
DTXSID90522726
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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