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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

Name: 4-Amino-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Brand: BOC Sciences
Rating: 5 (1 reviews)

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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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Amines and Anilines

[556-90-1]C3H4N2OS
Pseudothiohydantoin
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[116952-58-0]C14H18N2O3
2-Ethoxycarbonyl-5-methoxytryptamine

Fluorinated Building Blocks

[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[452-76-6]C7H6F2
2,4-Difluorotoluene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline

Sulfur Compounds

[2006276-82-8]C9H12ClNO4S2
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[85-47-2]C10H8O3S
1-Naphthalenesulfonic acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]C2H7NO3S
2-Hydroxyethane-1-sulfonamide
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]C13H12ClNO3S
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Triazole/Tetrazole

[25537-64-8]C3H3Br2N3
4,5-Dibromo-1-methyl-1,2,3-triazole
[1005680-56-7]C13H16F3N5O2S
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823462-45-8]C8H12ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]C7H10ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]C6H10N4O2
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[146-68-9]C19H13ClIN5O2
Iodonitrotetrazolium chloride

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