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36393-83-6 | 3-(2-Hydroxyethyl)-2-[3-((3-(2-hydroxyethyl)-5-methyl-3H-benzothiazol-2-ylidene)-2-methyl)-1-propenyl]-5-methyl-benzothi
CAS No: 36393-83-6 Catalog No: AG00CYPQ MDL No:
Product Description
Catalog Number:
AG00CYPQ
Chemical Name:
3-(2-Hydroxyethyl)-2-[3-((3-(2-hydroxyethyl)-5-methyl-3H-benzothiazol-2-ylidene)-2-methyl)-1-propenyl]-5-methyl-benzothi
CAS Number:
36393-83-6
IUPAC Name:
2-[2-[3-[3-(2-hydroxyethyl)-5-methyl-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-5-methyl-1,3-benzothiazol-3-yl]ethanol;bromide
InChI:
InChI=1S/C24H27N2O2S2.BrH/c1-16-4-6-21-19(12-16)25(8-10-27)23(29-21)14-18(3)15-24-26(9-11-28)20-13-17(2)5-7-22(20)30-24;/h4-7,12-15,27-28H,8-11H2,1-3H3;1H/q+1;/p-1
InChI Key:
RJBLPGNHGXGINV-UHFFFAOYSA-M
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.07g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
519.516g/mol
Monoisotopic Mass:
518.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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