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[(4-amino-1-methyl-1H-pyrazol-3-yl)thio]acetic acid

[(4-amino-1-methyl-1H-pyrazol-3-yl)thio]acetic acid - CAS 1431963-07-3

Catalog:	BB052288
Product Name:	[(4-amino-1-methyl-1H-pyrazol-3-yl)thio]acetic acid
CAS:	1431963-07-3
Synonyms:	2-[(4-amino-1-methyl-1H-pyrazol-3-yl)sulfanyl]acetic acid hydrochloride

Technical Data

Computed Properties

IUPAC Name:	2-(4-amino-1-methylpyrazol-3-yl)sulfanylacetic acid;hydrochloride
Molecular Weight:	223.68
Molecular Formula:	C6H10ClN3O2S
Canonical SMILES:	CN1C=C(C(=N1)SCC(=O)O)N.Cl
InChI:	InChI=1S/C6H9N3O2S.ClH/c1-9-2-4(7)6(8-9)12-3-5(10)11;/h2H,3,7H2,1H3,(H,10,11);1H
InChI Key:	MJJKDKIKQDTHNM-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Pyrazoles

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[874-87-3]
4-(Methylthio)benzyl chloride
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0182254
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	223.0182254
Rotatable Bond Count:	3
Topological Polar Surface Area:	106
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0