AC1MJ49X

2-[4-[[(4R)-1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid

Also Known As: EINECS 265-373-6|7-Benzothiazolesulfonic acid, 2-(4-((1-(hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)|7-Benzothiazolesulfonic acid, 2-(p-((1-(hydroxymethyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotriethanol (1:1)|2-(4-((1-(Hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1)|2-[4-[[(4R)-1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid|7-Benzothiazolesulfonic acid, 2-[4-[[1-(hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]phenyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)

Molecular Formula	C19H17N5O5S2
Molecular Weight	459.0671 g/mol
LogP	3.13862
Topological Polar Surface Area	144.88 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	459.0671
Monoisotopic Mass	459.0671
Heavy Atoms	31
Complexity	1346.0156

Chemical Identifiers

CAS Number	65072-44-8
SMILES	CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=N[C@@H]4C(=NN(C4=O)CO)C)S(=O)(=O)O