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Home > Product > Material & Chemicals > Organic & Printed Electronics > 5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol

5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol | CAS Number: 3004-42-0

Catalog Number
ACM3004420
Product Name
5-(4-Methylphenyl)-1,3,4-oxadiazole-2-thiol
Structure
CAS Number
3004-42-0
EC Number
221-103-9
IUPAC Name
5-phenyl-3H-1,3,4-oxadiazole-2-thione
Synonyms
2-PHENYL-1,3,4-OXADIAZOL-5-THIOL;AKOS BBS-00007238;AKOS TOT-0317;AKOS TOT-0338;5-P-TOLYL-1,3,4-OXADIAZOLE-2-THIOL;5-PHENYL-1,3,4-OXADIAZOLE-2-THIOL;5-PHENYL-1,3,4-OXADIAZOL-2-YL HYDROSULFIDE;5-PHENYL-1,3,4-OXADIAZOLE-2(3H)-THIONE
Molecular Weight
178.21
Exact Mass
178.02000
Molecular Formula
C8H6N2OS
Boiling Point
247.1ºC at 760mmHg
Melting Point
219-222ºC(lit.)
Flash Point
103.2ºC
Density
1.38g/cm3
Purity
98%
Appearance
slightly yellow crystalline powder
SMILES
C1=CC=C(C=C1)C2=NNC(=S)O2
InChIKey
FOHWXVBZGSVUGO-UHFFFAOYSA-N
H-Bond Donor
1
H-Bond Acceptor
2
Safty Description
26-36
Hazard Statements
Xi: Irritant;
WGK Germany
3
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1Synthesis of some new 1,2,4-triazoles, their Mannich and Schiff bases and evaluation of their antimicrobial activities.

Bayrak H1, Demirbas A, Karaoglu SA, Demirbas N.

Eur J Med Chem. 2009 Mar;44(3):1057-66. doi: 10.1016/j.ejmech.2008.06.019. Epub 2008 Jun 26.

4-Phenyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-thiol (3) was obtained in basic media via the formation of 2-isonicotinoyl-N-phenylhydrazinecarbothioamide (2), and converted to some alkylated derivatives (4a,b) and Mannich base derivatives (5a-c). 2-[(4-Phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)thio]acetohydrazide (7) that was obtained by using compound 3 as precursor in two steps was converted to thiosemicarbazide derivative (8), Schiff base derivatives (9) and 5-{[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazol-3-yl)thio]methyl}-1,3,4-oxadiazole-2-thiol (10). Read More

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