6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-2-thioxo-

• 常用名: 6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-2-thioxo-
• 英文名: 6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-8-[(3-pyridinylmethyl)thio]-2-thioxo-
• CAS号: 6466-15-5
• 分子量: 319.40500
• 密度: 1.54g/cm3
• 沸点: 581.9ºC at 760mmHg
• 分子式: C₁₃H₁₃N₅OS₂
• 熔点: N/A
• 闪点: 305.7ºC

名称

• 英文名: 1,3-dimethyl-8-(pyridin-3-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one

物理化学性质

• 密度: 1.54g/cm3
• 沸点: 581.9ºC at 760mmHg
• 分子式: C₁₃H₁₃N₅OS₂
• 分子量: 319.40500
• 闪点: 305.7ºC
• 精确质量: 319.05600
• PSA: 125.89000
• LogP: 2.01690
• InChIKey: OCFFPNDSXCDKMN-UHFFFAOYSA-N
• SMILES: Cn1c(=O)c2[nH]c(SCc3cccnc3)nc2n(C)c1=S
• 折射率: 1.758

毒性和生态

英文别名

• 1,3-dimethyl-8-[(pyridin-3-ylmethyl)sulfanyl]-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one
• 8-((3-Pyridylmethyl)thio)-2-thiotheophylline
• Theophylline,8-((3-pyridylmethyl)thio)-2-thio