6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid

CAS: 3181-86-0

Molecular Formula	`C18H14N2O3S2`
Molecular Weight	370.4 g/mol
LogP	3.8
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	370.0446
Heavy Atoms	25
Complexity	594.0

Chemical Identifiers

CAS Number	3181-86-0
SMILES	`CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C)S(=O)(=O)O`
InChIKey	`WXSWCUFLXDRACR-UHFFFAOYSA-N`

📖 Product Overview

6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid (CAS: 3181-86-0) is a chemical compound with molecular formula C18H14N2O3S2 and molecular weight 370.4 g/mol. Its IUPAC systematic name is 6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid. LogP 3.8 Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 370.0446 Heavy Atoms 25 Complexity 594.0 InChI Key: WXSWCUFLXDRACR-UHFFFAOYSA-N. SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C)S(=O)(=O)O.

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