Basic information
- CAS
20064-83-9- Standard SMILES
CN(C)c1ccc(C=Cc2sc3ccccc3[n+]2C)cc1.[I-]- InChIKey
ISQZSFZTDBJRBP-UHFFFAOYSA-M- Molecular formula
- C18H19IN2S
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.03137
Names & identifiers
- Preferred name
- 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide
- IUPAC
- N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide
Names & synonyms
20064-83-9SCHEMBL8387880DTXSID309420802-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide2-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-3-methyl-1,3-benzothiazol-3-ium iodide
Database identifiers
- CAS
20064-83-9- PubChem CID
- 378917
- DTXSID
DTXSID30942080
Properties
Computed structural properties
- Topological polar surface area
- 35.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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