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3181-86-0 | 6-methyl-2-(2-methyl-6-quinolyl)benzothiazole-7-sulphonic acid
CAS No: 3181-86-0 Catalog No: AG00CZAR MDL No:
Product Description
Catalog Number:
AG00CZAR
Chemical Name:
6-methyl-2-(2-methyl-6-quinolyl)benzothiazole-7-sulphonic acid
CAS Number:
3181-86-0
IUPAC Name:
6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid
InChI:
InChI=1S/C18H14N2O3S2/c1-10-3-7-15-16(17(10)25(21,22)23)24-18(20-15)13-6-8-14-12(9-13)5-4-11(2)19-14/h3-9H,1-2H3,(H,21,22,23)
InChI Key:
WXSWCUFLXDRACR-UHFFFAOYSA-N
EC Number:
221-670-2
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.045g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.441g/mol
Monoisotopic Mass:
370.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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