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

5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazole-3-thiol - CAS 512811-73-3

Catalog:	BB045569
Product Name:	5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazole-3-thiol
CAS:	512811-73-3
Synonyms:	5-(1,5-dimethylpyrazol-3-yl)-4-(2-furylmethyl)-1,2,4-triazole-3-thiol

Technical Data

Computed Properties

IUPAC Name:	3-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Description:	5-(1,5-Dimethyl-1H-pyrazol-3-yl)-4-(2-furylmethyl)-4H-1,2,4-triazole-3-thiol (CAS# 512811-73-3 ) is a useful research chemical.
Molecular Weight:	275.33
Molecular Formula:	C12H13N5OS
Canonical SMILES:	CC1=CC(=NN1C)C2=NNC(=S)N2CC3=CC=CO3
InChI:	InChI=1S/C12H13N5OS/c1-8-6-10(15-16(8)2)11-13-14-12(19)17(11)7-9-4-3-5-18-9/h3-6H,7H2,1-2H3,(H,14,19)
InChI Key:	SLYVNYDVFIWUPA-UHFFFAOYSA-N

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Related Functional Groups

Furans

[512809-77-7]
5-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbaldehyde
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[79551-14-7]
Ferene Disodium Salt
[768-57-0]
3-(2-Furyl)-1-methylpropylamine
[61928-41-4]
3-(2-Furyl)-2-pyrazolin-5-one
[685904-18-1]
5-(Phenoxymethyl)furan-2-carbaldehyde

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Sulfur Compounds

[6633-90-5]
1,4-Butanedithiol diacetate
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[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
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[1243250-13-6]
Ethyl (3-bromo-1H-1,2,4-triazol-1-yl)acetate
[1823442-03-0]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	402
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.08408123
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	275.08408123
Rotatable Bond Count:	3
Topological Polar Surface Area:	90.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3