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Sulfur Compounds
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

[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[4970-53-0]
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
[19155-88-5]
2,1,3-Benzoxadiazole-5-carboxylic acid
[790641-72-4]
1-(4-methyl-1,2,3-thiadiazol-5-yl)methanamine
[905-62-4]
2,5-Bis(1-naphthyl)-1,3,4-oxadiazole

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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