13182-58-6

• 常用中文名：6-thiocaffeine
• 常用英文名：6-thiocaffeine
• CAS号：13182-58-6
• 分子式：C₈H₁₀N₄OS
• 分子量：210.25600
• 发布时间：2016-04-12 06:54:28
• 更新时间：2024-01-09 19:04:25

名称

• 英文名: 1,3,7-trimethyl-6-sulfanylidenepurin-2-one
• 英文别名: 1,3,7-trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one; M &1,3,7-Trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-on; CAFFEINE,6-THIO; 7-methyl-6-thioxanthine; 2H-Purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo; B 6227; 1,3,7-Trimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin; 6-Thiocaffeine

物化性质

• 密度: 1.45g/cm3
• 沸点: 416.6ºC at 760mmHg
• 分子式: C₈H₁₀N₄OS
• 分子量: 210.25600
• 闪点: 205.8ºC
• 精确质量: 210.05800
• PSA: 76.84000
• LogP: 0.34000
• 蒸汽压: 3.76E-07mmHg at 25°C
• 折射率: 1.714

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : EV6640100 CHEMICAL NAME : Caffeine, 6-thio- CAS REGISTRY NUMBER : 13182-58-6 BEILSTEIN REFERENCE NO. : 0205182 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C8-H10-N4-O-S MOLECULAR WEIGHT : 210.28 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 : 960 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961

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