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4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol

4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol - CAS 914096-56-3

Catalog:	BB045551
Product Name:	4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
CAS:	914096-56-3
Synonyms:	4-methyl-5-(1-methylpyrazol-5-yl)-1,2,4-triazole-3-thiol

Technical Data

Computed Properties

IUPAC Name:	4-methyl-3-(2-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Description:	4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS# 914096-56-3 ) is a useful research chemical.
Molecular Weight:	195.25
Molecular Formula:	C7H9N5S
Canonical SMILES:	CN1C(=CC=N1)C2=NNC(=S)N2C
InChI:	InChI=1S/C7H9N5S/c1-11-6(9-10-7(11)13)5-3-4-8-12(5)2/h3-4H,1-2H3,(H,10,13)
InChI Key:	FLKZFVRSDRABSC-UHFFFAOYSA-N
Boiling Point:	303.7±34.0 °C at 760 mmHg
Density:	1.49±0.1 g/cm³

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

Pyrazoles

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[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
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate

Triazole/Tetrazole

[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[4928-88-5]
Methyl-1H-1,2,4-triazole-3-carboxylate
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid
[832740-88-2]
5-(4-Difluoromethoxy-phenyl)-2H-tetrazole
[4923-01-7]
3-Amino-5-methyl-4H-1,2,4-triazole
[740816-14-2]
5a(S),10b(R)-5a,10b-Dihydro-2-(pentafluorophenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium tetrafluoroborate

Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05786648
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.05786648
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3