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34979-97-0 | 3-(2-OXY-ETHYL)-2-[3-(3-(2-OXY-ETHYL)-2-BENZOTHIAZOLINYLIDENE)-2-METHYL-1-PROPENYL)] BENZOTHIAZOLIUM CHLORIDE
CAS No: 34979-97-0 Catalog No: AG00C7WV MDL No:
Product Description
Catalog Number:
AG00C7WV
Chemical Name:
3-(2-OXY-ETHYL)-2-[3-(3-(2-OXY-ETHYL)-2-BENZOTHIAZOLINYLIDENE)-2-METHYL-1-PROPENYL)] BENZOTHIAZOLIUM CHLORIDE
CAS Number:
34979-97-0
IUPAC Name:
2-[(2Z)-2-[(E)-3-[3-(2-hydroxyethyl)-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-1,3-benzothiazol-3-yl]ethanol;chloride
InChI:
InChI=1S/C22H23N2O2S2.ClH/c1-16(14-21-23(10-12-25)17-6-2-4-8-19(17)27-21)15-22-24(11-13-26)18-7-3-5-9-20(18)28-22;/h2-9,14-15,25-26H,10-13H2,1H3;1H/q+1;/p-1
InChI Key:
RNDQRRPKPMLDNN-UHFFFAOYSA-M
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
446.089g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.008g/mol
Monoisotopic Mass:
446.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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