Benzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfate
Basic information
- CAS
68298-84-0- Standard SMILES
CC[N+]1(C)/C(=C/C(=O)c2ccco2)Sc2ccc(C)cc21.COS(=O)(=O)[O-]- InChIKey
GPXLBYSGODQZNZ-CULRIWENSA-M- Molecular formula
- C18H21NO6S2
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.08102974
Names & identifiers
- Preferred name
- Benzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfate
- IUPAC
- (2Z)-2-(3-ethyl-3,5-dimethyl-1,3-benzothiazol-3-ium-2-ylidene)-1-(furan-2-yl)ethanone;methyl sulfate
Names & synonyms
Benzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfateBenzothiazolium, 3-ethyl-2-(2-(2-furanyl)-2-oxoethylidene)-2,3-dihydro-3,5-dimethyl-, methyl sulfate (1:1)2-(2-Furoylmethylene)-3-ethyl-3,5-dimethylbenzothiazolinium, methyl sulfate
Database identifiers
- CAS
68298-84-0- PubChem CID
- 6437522
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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