5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol

Modify Date: 2024-01-21 23:00:54

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure
5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol structure
 Common Name 5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol
CAS Number 114058-91-2 Molecular Weight 195.21700
Density 1.5g/cm3 Boiling Point 263.2ºC at 760mmHg
Molecular Formula C8H6FN3S Melting Point N/A
MSDS N/A Flash Point 113ºC

 Names

Name 5-(4-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione

 Chemical & Physical Properties

Density 1.5g/cm3
Boiling Point 263.2ºC at 760mmHg
Molecular Formula C8H6FN3S
Molecular Weight 195.21700
Flash Point 113ºC
Exact Mass 195.02700
PSA 76.56000
LogP 2.27340
Vapour Pressure 0.0104mmHg at 25°C
Index of Refraction 1.707

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5359088
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(4-fluorophenyl)-
CAS REGISTRY NUMBER :
114058-91-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H6-F-N3-S
MOLECULAR WEIGHT :
195.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,1253,1988

 Synthetic Route

2-(4-FLUOROBENZOYL)HYDRAZINECARBOTHIOAMIDE structure

2-(4-FLUOROBENZ...

CAS#:831-38-9

~90%

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure

5-(4-fluorophen...

CAS#:114058-91-2
Literature: Murty; Ram, Kesur R.; Rao, Rayudu Venkateswara; Yadav; Rao, Janapala Venkateswara; Pamanji; Velatooru Letters in Drug Design and Discovery, 2012 , vol. 9, # 3 p. 276 - 281
4-FLUOROBENZOYL CHLORIDE structure

4-FLUOROBENZOYL...

CAS#:403-43-0

~%

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure

5-(4-fluorophen...

CAS#:114058-91-2
Literature: Farmaco, , vol. 52, # 11 p. 691 - 695
4-fluorobenzhydrazide structure

4-fluorobenzhyd...

CAS#:456-06-4

~%

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure

5-(4-fluorophen...

CAS#:114058-91-2
Literature: Farmaco, , vol. 52, # 11 p. 691 - 695
4-fluorobenzoic acid phenyl ester structure

4-fluorobenzoic...

CAS#:2714-90-1

~%

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure

5-(4-fluorophen...

CAS#:114058-91-2
Literature: Farmaco, , vol. 52, # 11 p. 691 - 695
4-Fluorobenzoic acid structure

4-Fluorobenzoic acid

CAS#:456-22-4

~%

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure

5-(4-fluorophen...

CAS#:114058-91-2
Literature: Letters in Drug Design and Discovery, , vol. 9, # 3 p. 276 - 281
Methyl 4-fluorobenzoate structure

Methyl 4-fluoro...

CAS#:403-33-8

~%

5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol Structure

5-(4-fluorophen...

CAS#:114058-91-2
Literature: Letters in Drug Design and Discovery, , vol. 9, # 3 p. 276 - 281
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4-Ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
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4-AMINO-5-(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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4-(4-nitrobenzylideneamino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
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4,5-BIS(4-FLUOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
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3-(4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylic acid
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5-(4-PENTYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
261704-48-7
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Chemsrc provides CAS#:114058-91-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol>> amp version: 5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol

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