2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid
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![2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c06df0fb8a80448583ceb69a7bb72720.png "2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid")
2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid
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CAS No:
5855-99-2
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Formula:
C18H15N3O4S2
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Chemical Name:
2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid
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Synonyms:
7-Benzothiazolesulfonic acid,2-[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-;7-Benzothiazolesulfonic acid,6-methyl-2-[p-(3-methyl-5-oxo-2-pyrazolin-1-yl)phenyl]-;2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid
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CAS No:
2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid Basic Attributes
401.4594
401.46
227-472-2
DTXSID30207267
Computed Properties
Molecular Weight:401.5
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:401.05039832
Monoisotopic Mass:401.05039832
Topological Polar Surface Area:137
Heavy Atom Count:27
Complexity:727
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-[4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]-6-methyl-7-benzothiazolesulfonic acid
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