Basic information
- CAS
19422-11-8- Standard SMILES
CN(C)c1ccc(C2=[N+](C)CCCS2)cc1.[I-]- InChIKey
MSESGCQGHMCPFE-UHFFFAOYSA-M- Molecular formula
- C13H19IN2S
- Average molar mass
- 362.28 g/mol
- Monoisotopic mass
- 362.03137
Names & identifiers
- Preferred name
- 4H-1,3-Thiazinium, 2-(p-(dimethylamino)phenyl)-5,6-dihydro-3-methyl-, iodide
- IUPAC
- N,N-dimethyl-4-(3-methyl-5,6-dihydro-4H-1,3-thiazin-3-ium-2-yl)aniline iodide
Names & synonyms
19422-11-84H-1,3-Thiazinium, 2-(p-(dimethylamino)phenyl)-5,6-dihydro-3-methyl-, iodideRefChem:10718082-(p-Dimethylaminophenyl)-3-methyl-4H-5,6-dihydro-1,3-thiazinium iodideDTXSID60941142N,N-Dimethyl-4-(3-methyl-1,3-thiazinan-2-ylidene)cyclohexa-2,5-dien-1-iminium iodide
Database identifiers
- CAS
19422-11-8- PubChem CID
- 209191
- DTXSID
DTXSID60941142
Properties
Computed structural properties
- Topological polar surface area
- 31.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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