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

5-(1-Ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-thiol - CAS 1004643-47-3

Catalog:	BB049472
Product Name:	5-(1-Ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-thiol
CAS:	1004643-47-3
Synonyms:	5-(1-Ethyl-1H-pyrazol-4-yl)-[1,3,4]oxadiazole-2-thiol; 5-(1-ethylpyrazol-4-yl)-1,3,4-oxadiazole-2-thiol

Technical Data

Computed Properties

IUPAC Name:	5-(1-ethylpyrazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
Description:	5-(1-Ethyl-1H-pyrazol-4-yl)-1,3,4-oxadiazole-2-thiol (CAS# 1004643-47-3 ) is a useful research chemical.
Molecular Weight:	196.23
Molecular Formula:	C7H8N4OS
Canonical SMILES:	CCN1C=C(C=N1)C2=NNC(=S)O2
InChI:	InChI=1S/C7H8N4OS/c1-2-11-4-5(3-8-11)6-9-10-7(13)12-6/h3-4H,2H2,1H3,(H,10,13)
InChI Key:	QKERKSQQEPULNN-UHFFFAOYSA-N
Boiling Point:	296.4±32.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[76162-56-6]
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
[37760-54-6]
Ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[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
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04188206
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.04188206
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6