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4-Ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

4-Ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol - CAS 1001559-22-3

Name: 4-Ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB045556
Product Name:	4-Ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS:	1001559-22-3
Synonyms:	4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole-3-thiol

Technical Data

Computed Properties

IUPAC Name:	4-ethyl-3-(1-ethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Description:	4-Ethyl-5-(1-ethyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol (CAS# 1001559-22-3 ) is a useful research chemical.
Molecular Weight:	223.30
Molecular Formula:	C9H13N5S
Canonical SMILES:	CCN1C=CC(=N1)C2=NNC(=S)N2CC
InChI:	InChI=1S/C9H13N5S/c1-3-13-6-5-7(12-13)8-10-11-9(15)14(8)4-2/h5-6H,3-4H2,1-2H3,(H,11,15)
InChI Key:	WMJPNZXPPWGSNZ-UHFFFAOYSA-N

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Pyrazoles

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]C7H8N2O
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Sulfur Compounds

[123-43-3]C2H4O5S
Sulfoacetic acid
[2006276-82-8]C9H12ClNO4S2
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]C8H4F3NS2
3-(Trifluoromethylthio)phenyl isothiocyanate
[21124-33-4]C5H14N2S2
Ammonium diethyldithiocarbamate
[156-57-0]C2H8ClNS
Cysteamine hydrochloride

Triazole/Tetrazole

[1855888-97-9]C12H18Cl2N4
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1823442-03-0]C8H12BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-86-3]C7H10BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[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
[1823402-59-0]C8H12BrN3O2
Ethyl 2-(5-bromo-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.08916661
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.08916661
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9