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5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol

5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol - CAS 512810-96-7

Catalog:	BB045570
Product Name:	5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol
CAS:	512810-96-7
Synonyms:	5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

Technical Data

Computed Properties

IUPAC Name:	3-(1,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
Description:	5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazole-3-thiol (CAS# 512810-96-7 ) is a useful research chemical.
Molecular Weight:	251.35
Molecular Formula:	C11H17N5S
Canonical SMILES:	CC1=CC(=NN1C)C2=NNC(=S)N2CC(C)C
InChI:	InChI=1S/C11H17N5S/c1-7(2)6-16-10(12-13-11(16)17)9-5-8(3)15(4)14-9/h5,7H,6H2,1-4H3,(H,13,17)
InChI Key:	OXAKUKBLNJLTQR-UHFFFAOYSA-N

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[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
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.12046674
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.12046674
Rotatable Bond Count:	3
Topological Polar Surface Area:	77.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2