Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, ethyl sulfate (1:1)
Basic information
- CAS
67800-91-3- Standard SMILES
CCN1/C(=C/C(C)=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.CCOS(=O)(=O)[O-]- InChIKey
ORGLOPDBXCEQCS-UHFFFAOYSA-M- Molecular formula
- C24H28N2O4S3
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.1211209
Names & identifiers
- Preferred name
- Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, ethyl sulfate (1:1)
- IUPAC
- (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;ethyl sulfate
Names & synonyms
EINECS 267-115-867800-91-3DTXSID0070605Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-, ethyl sulfate3,3'-Diethyl-9-methyl-2,2'-thiacarbocyanine ethosulfateBenzothiazolium, 3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-, ethyl sulfate (1:1)Benzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-, ethyl sulfateBenzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, ethyl sulfate (1:1)RefChem:118639DTXCID70450293-Ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium ethyl sulfateEthyl 3-ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium sulphate
Database identifiers
- CAS
67800-91-3- PubChem CID
- 5484836
- EC Number
- 267-115-8
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 615
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 3-ethyl-2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-, ethyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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