54649-03-5

• 常用中文名：4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
• 常用英文名：4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
• CAS号：54649-03-5
• 分子式：C₁₈H₁₅ClN₄S
• 分子量：354.85700
• 发布时间：2017-06-25 13:32:54
• 更新时间：2025-11-06 18:01:45

名称

• 英文名: 4-(4-chlorophenyl)-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione

物化性质

• 密度: 1.41g/cm3
• 沸点: 548.8ºC at 760 mmHg
• 分子式: C₁₈H₁₅ClN₄S
• 分子量: 354.85700
• 闪点: 285.7ºC
• 精确质量: 354.07100
• PSA: 85.30000
• LogP: 4.58990
• 折射率: 1.732

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XZ5359050 CHEMICAL NAME : 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(4-chlorophenyl)-5-((2-methyl-1H-indol- 3-yl) methyl)- CAS REGISTRY NUMBER : 54649-03-5 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C18-H15-Cl-N4-S MOLECULAR WEIGHT : 354.88 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 : 500 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression REFERENCE : CNJPAZ Canadian Journal of Pharmaceutical Sciences. (Toronto, Ont., Canada) V.1-16, 1966-81. Discontinued. Volume(issue)/page/year: 9,108,1974

合成路线

54648-93-0 ~84% 54649-03-5

文献：Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559

21909-51-3 ~% 54649-03-5

文献：Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559

2131-55-7 ~% 54649-03-5

文献：Kadry; Badawy; Hanna Pharmazie, 1986 , vol. 41, # 8 p. 558 - 559

21909-49-9 ~% 54649-03-5

文献：Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266

59-88-1 ~% 54649-03-5

文献：Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266

123-76-2 ~% 54649-03-5

文献：Sengupta, Anil K.; Gupta, Anurag Ateet Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 263 - 266