114058-91-2

• 常用中文名：5-(4-氟苯)-4H-1,2,4-三唑-3-硫醇
• 常用英文名：5-(4-fluorophenyl)-4h-1,2,4-triazole-3-thiol
• CAS号：114058-91-2
• 分子式：C₈H₆FN₃S
• 分子量：195.21700
• 相关类别： 化学试剂 有机试剂 硫醇盐
• 发布时间：2018-12-28 13:37:14
• 更新时间：2025-08-25 09:10:51

名称

• 中文名: 5-(4-氟苯基)-4H-1,2,4-噻唑-3-硫醇
• 英文名: 5-(4-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
• 中文别名: 5-(4-氟苯)-4H-1,2,4-三唑-3-硫醇

物化性质

• 密度: 1.5g/cm3
• 沸点: 263.2ºC at 760mmHg
• 分子式: C₈H₆FN₃S
• 分子量: 195.21700
• 闪点: 113ºC
• 精确质量: 195.02700
• PSA: 76.56000
• LogP: 2.27340
• 蒸汽压: 0.0104mmHg at 25°C
• 折射率: 1.707

毒性和生态

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

合成路线

831-38-9 ~90% 114058-91-2

文献：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

403-43-0 ~% 114058-91-2

文献：Farmaco, , vol. 52, # 11 p. 691 - 695

456-06-4 ~% 114058-91-2

文献：Farmaco, , vol. 52, # 11 p. 691 - 695

2714-90-1 ~% 114058-91-2

文献：Farmaco, , vol. 52, # 11 p. 691 - 695

456-22-4 ~% 114058-91-2

文献：Letters in Drug Design and Discovery, , vol. 9, # 3 p. 276 - 281

403-33-8 ~% 114058-91-2

文献：Letters in Drug Design and Discovery, , vol. 9, # 3 p. 276 - 281

上下游产品

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831-38-9 403-43-0 456-06-4 2714-90-1
456-22-4 403-33-8
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