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4-Amino-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol

4-Amino-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol - CAS 832740-00-8

Catalog:	BB045602
Product Name:	4-Amino-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
CAS:	832740-00-8
Synonyms:	4-amino-5-(difluoromethyl)-1,2,4-triazole-3-thiol; 4H-1,2,4-triazole-3-thiol, 4-amino-5-(difluoromethyl)-

Technical Data

Computed Properties

IUPAC Name:	4-amino-3-(difluoromethyl)-1H-1,2,4-triazole-5-thione
Description:	4-Amino-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS# 832740-00-8 ) is a useful research chemical.
Molecular Weight:	166.16
Molecular Formula:	C3H4F2N4S
Canonical SMILES:	C1(=NNC(=S)N1N)C(F)F
InChI:	InChI=1S/C3H4F2N4S/c4-1(5)2-7-8-3(10)9(2)6/h1H,6H2,(H,8,10)
InChI Key:	JTSFZAOSLMMPNX-UHFFFAOYSA-N
Boiling Point:	184.9±50.0 °C at 760 mmHg
Density:	2.0±0.1 g/cm³

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Related Functional Groups

Amines and Anilines

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[351-28-0]
3'-Fluoroacetanilide

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Triazole/Tetrazole

[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.01247364
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.01247364
Rotatable Bond Count:	1
Topological Polar Surface Area:	85.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1