94771-94-5

• 常用中文名：2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-((phenylamino) thioxomethyl)hydrazide
• 常用英文名：2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-((phenylamino) thioxomethyl)hydrazide
• CAS号：94771-94-5
• 分子式：C₁₈H₁₉N₇O₃S
• 分子量：413.45400
• 发布时间：2017-08-01 20:24:36
• 更新时间：2025-08-25 11:44:54

名称

• 英文名: 1-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-3-phenylthiourea

物化性质

• 密度: 1.41g/cm3
• 分子式: C₁₈H₁₉N₇O₃S
• 分子量: 413.45400
• 精确质量: 413.12700
• PSA: 157.84000
• LogP: 2.82680
• 折射率: 1.68

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XF7463635 CHEMICAL NAME : 2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-((phenylamino)thioxomethyl)hydrazide CAS REGISTRY NUMBER : 94771-94-5 LAST UPDATED : 199612 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C18-H19-N7-O3-S MOLECULAR WEIGHT : 413.50 WISWESSER LINE NOTATION : T5NNNNJ B1VMMYUS&MR& ER CO1 DO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1133,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 35,333,1987

合成路线

94771-93-4 103-72-0 ~50% 94771-94-5

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

2024-83-1 ~% 94771-94-5

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

10493-27-3 ~% 94771-94-5

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135

91759-58-9 ~% 94771-94-5

文献：Pande, Kalpana; Tandon, Manju; Bhalla, T. N.; Barthwal, J. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1984 , vol. 23, # 11 p. 1133 - 1135