N,N-Dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-iminium iodide
Basic information
- CAS
19422-09-4- Standard SMILES
CN(C)c1ccc(-c2sc3c([n+]2C)CCCC3)cc1.[I-]- InChIKey
AYWNCIZIGBPNSK-UHFFFAOYSA-M- Molecular formula
- C16H21IN2S
- Average molar mass
- 400.3 g/mol
- Monoisotopic mass
- 400.04702
Names & identifiers
- Preferred name
- N,N-Dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-iminium iodide
- IUPAC
- N,N-dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)aniline iodide
Names & synonyms
19422-09-4DTXSID40941140N,N-Dimethyl-4-(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene)cyclohexa-2,5-dien-1-iminium iodideRefChem:1090563DTXCID901369585Benzothiazolium, 2-(p-(dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-, iodide2-(p-(Dimethylamino)phenyl)-4,5,6,7-tetrahydro-3-methyl-benzothiazolium iodide
Database identifiers
- CAS
19422-09-4- PubChem CID
- 29588
- DTXSID
DTXSID40941140
Properties
Computed structural properties
- Topological polar surface area
- 35.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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