4791-40-6

• 常用中文名：6-Thio-8-(N-octylthio)theophylline
• 常用英文名：6-Thio-8-(N-octylthio)theophylline
• CAS号：4791-40-6
• 分子式：C₁₅H₂₄N₄OS₂
• 分子量：340.50700
• 发布时间：2016-10-17 05:55:10
• 更新时间：2025-09-20 18:03:48

名称

• 英文名: 1,3-dimethyl-8-octylsulfanyl-6-sulfanylidene-7H-purin-2-one
• 英文别名: Theophylline,(8-octylthio)-6-thio; Uric acid,1,3-dimethyl-8-octylthio-6-thio; 8-n-Octylthio-6-thiotheophyllin; 1,3-dimethyl-8-octylsulfanyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one; 6-Thio-8-n-octylthiotheophylline

物化性质

• 密度: 1.26g/cm3
• 沸点: 516.5ºC at 760 mmHg
• 分子式: C₁₅H₂₄N₄OS₂
• 分子量: 340.50700
• 闪点: 266.1ºC
• 精确质量: 340.13900
• PSA: 113.00000
• LogP: 3.78220
• 折射率: 1.625

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH6385000 CHEMICAL NAME : Theophylline, 8-octylthio-6-thio- CAS REGISTRY NUMBER : 4791-40-6 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C15-H24-N4-O-S2 MOLECULAR WEIGHT : 340.55 WISWESSER LINE NOTATION : T56 BM DN FNVNYJ CS8 F1 H1 IUS HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04429