Basic information
- CAS
21241-68-9- Standard SMILES
CCc1sc(-c2ccc(N(C)C)cc2)[n+](C)c1C.[I-]- InChIKey
DANVIHPKWFBTPE-UHFFFAOYSA-M- Molecular formula
- C15H21IN2S
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.04702
Names & identifiers
- Preferred name
- 4-(5-Ethyl-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene)-N,N-dimethylcyclohexa-2,5-dien-1-iminium iodide
- IUPAC
- 4-(5-ethyl-3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline iodide
Names & synonyms
21241-68-9DTXSID209436624-(5-Ethyl-3,4-dimethyl-1,3-thiazol-2(3H)-ylidene)-N,N-dimethylcyclohexa-2,5-dien-1-iminium iodideRefChem:1070002DTXCID7013720272-(p-(Dimethylamino)phenyl)-5-ethyl-3,4-dimethyl-thiazolium iodideThiazolium, 2-(p-(dimethylamino)phenyl)-5-ethyl-3,4-dimethyl-, iodide
Database identifiers
- CAS
21241-68-9- PubChem CID
- 210408
- DTXSID
DTXSID20943662
Properties
Computed structural properties
- Topological polar surface area
- 35.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…