2-(2-Anilinovinyl)-3-ethyl-4,5-dihydrothiazolium iodide
Basic information
- CAS
63870-40-6- Standard SMILES
CC[N+]1=C(/C=C/Nc2ccccc2)SCC1.[I-]- InChIKey
UZMRRJAQORCIRP-UHFFFAOYSA-N- Molecular formula
- C13H17IN2S
- Average molar mass
- 360.26 g/mol
- Monoisotopic mass
- 360.01572
Overview
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Names & identifiers
- Preferred name
- 2-(2-Anilinovinyl)-3-ethyl-4,5-dihydrothiazolium iodide
- IUPAC
- N-[(E)-2-(3-ethyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]aniline iodide
Names & synonyms
2-(2-Anilinovinyl)-3-ethyl-4,5-dihydrothiazolium iodideBIM-0014767.P001SCHEMBL9468078AKOS024400762NS00054313
Database identifiers
- CAS
63870-40-6- PubChem CID
- 5338074
Properties
Computed structural properties
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
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Compound notes
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