4776-10-7

• 常用中文名：Theophylline, 8- (heptylthio)-2-thio-
• 常用英文名：Theophylline, 8- (heptylthio)-2-thio-
• CAS号：4776-10-7
• 分子式：C₁₄H₂₂N₄OS₂
• 分子量：326.48100
• 发布时间：2017-07-03 07:47:47
• 更新时间：2025-09-05 16:05:20

名称

• 英文名: Uric acid, 1,3-dimethyl-(8-heptylthio)-2-thio
• 英文别名: 8-(Heptylthio)-2-thiotheophylline; 8-n-Heptylthio-2-thiotheophyllin; 1,3-Dimethyl-2,7-dihydro-8-(heptylthio)-2-thioxo-1H-purin-6(3H)-one; 8-heptylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one; 3,7-Dihydro-1,3-dimethyl-8-(heptylthio)-2-thioxo-1H-purin-6(2H)-one

物化性质

• 密度: 1.29g/cm3
• 沸点: 507ºC at 760 mmHg
• 分子式: C₁₄H₂₂N₄OS₂
• 分子量: 326.48100
• 闪点: 260.4ºC
• 精确质量: 326.12400
• PSA: 113.00000
• LogP: 3.39210
• 折射率: 1.634

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XH5637000 CHEMICAL NAME : Theophylline, 8-heptylthio-2-thio- CAS REGISTRY NUMBER : 4776-10-7 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C14-H22-N4-O-S2 MOLECULAR WEIGHT : 326.52 WISWESSER LINE NOTATION : T56 BM DN FNYNVJ CS7 F1 GUS H1 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 : 180 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#04434