42076-12-0

• 常用中文名：ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• 常用英文名：ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS号：42076-12-0
• 分子式：C₁₈H₂₀N₂O₂S₂
• 分子量：360.49400
• 发布时间：2017-06-07 18:55:11
• 更新时间：2024-01-09 08:59:14

名称

• 英文名: ethyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• 英文别名: N-(3-carbethoxy-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-N'-phenylthiourea; Benzo(b)thiophene-3-carboxylic acid,4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl)amino)-,ethyl ester; ethyl 2-{[(phenylamino)thioxomethyl]amino}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; 1-(3'-Carbethoxy-4'.5'.6'.7'-tetrahydrobenzothiophen-2'-yl)-3-phenylthiourea; N1-(3-carbethoxy-4,5,6,7-tetrahydrobenzo<b>thien-2-yl)-N2-phenylthiourea; ethyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; 2-(3-phenylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester; 3-ethoxycarbonyl-2-(3-phenylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene

物化性质

• 密度: 1.342g/cm3
• 沸点: 524.6ºC at 760 mmHg
• 分子式: C₁₈H₂₀N₂O₂S₂
• 分子量: 360.49400
• 闪点: 271.1ºC
• 精确质量: 360.09700
• PSA: 117.73000
• LogP: 4.90600
• 折射率: 1.701

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DL9609310 CHEMICAL NAME : Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((phenylamino)thioxomethyl) amino)-, ethyl ester CAS REGISTRY NUMBER : 42076-12-0 BEILSTEIN REFERENCE NO. : 1437884 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C18-H20-N2-O2-S2 MOLECULAR WEIGHT : 360.52 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Lungs, Thorax, or Respiration - other changes REFERENCE : EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 25,635,1990

合成路线

4506-71-2 103-72-0 ~92% 42076-12-0

文献：El-Sherief, Hassan A. H.; El-Naggar, Galal M.; Hozien, Zeinab A.; El-Sawaisi, Suliman M. Journal of Heterocyclic Chemistry, 2008 , vol. 45, # 2 p. 467 - 473

85716-87-6 74497-02-2 ~90% 42076-12-0

文献：Chumakova; Demchenko; Krasovsky; Dolishnyak; Lozinskii Chemistry of Heterocyclic Compounds, 2003 , vol. 39, # 8 p. 1002 - 1012

4506-71-2 103-85-5 ~% 42076-12-0

文献：El-Baih, Fatma E. M.; Al-Blowy, Hanan A. S.; Al-Hazimi, Hassan M. Molecules, 2006 , vol. 11, # 7 p. 498 - 513