1-(2,3-Dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-1,2,3,5,6,7-hexahydroimidazo[2,1-b][1,3]thiazin-4-ium
Basic information
- CAS
6998-64-7- Standard SMILES
CCOc1ccc(C2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCS3)cc1- InChIKey
MGACWSMWVPIEBW-UHFFFAOYSA-N- Molecular formula
- C22H27N2O2S+
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.17932428
Names & identifiers
- Preferred name
- 1-(2,3-Dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-1,2,3,5,6,7-hexahydroimidazo[2,1-b][1,3]thiazin-4-ium
- IUPAC
- 1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-2,5,6,7-tetrahydroimidazo[2,1-b][1,3]thiazin-4-ium-3-ol
Names & synonyms
6998-64-7ChemDiv1_026888HMS663G04DTXSID90392401AKOS002093640AKOS016303195ST501137791-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-1,2,3,5,6,7-hexahydroimidazo[2,1-b][1,3]thiazin-4-ium1-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)-5H,6H,7H-2-imidazolino[2,1-b]1,3-thi azaperhydroin-3-ol
Database identifiers
- CAS
6998-64-7- PubChem CID
- 3430239
- DTXSID
DTXSID90392401
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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