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2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid

2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid - CAS 1018046-81-5

Catalog:	BB052812
Product Name:	2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)acetic acid
CAS:	1018046-81-5
Synonyms:	2-((2,3-Dimethyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl)thio)aceticacid

Technical Data

Computed Properties

IUPAC Name:	2-[2,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]sulfanylacetic acid
Molecular Weight:	305.28
Molecular Formula:	C11H10F3N3O2S
Canonical SMILES:	CC1=C2C(=CC(=NC2=NN1C)SCC(=O)O)C(F)(F)F
InChI:	InChI=1S/C11H10F3N3O2S/c1-5-9-6(11(12,13)14)3-7(20-4-8(18)19)15-10(9)16-17(5)2/h3H,4H2,1-2H3,(H,18,19)
InChI Key:	WJJCMEFMKLDAHL-UHFFFAOYSA-N
Boiling Point:	481.9±45.0 °C at 760 mmHg
Density:	1.6±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[21124-33-4]
Ammonium diethyldithiocarbamate

Complexity:	382
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.04458223
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	305.04458223
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6