Ethyl 5-氨基-4-氰基-3-甲基-2-噻吩羧酸乙酯

• 常用名: Ethyl 5-氨基-4-氰基-3-甲基-2-噻吩羧酸乙酯
• 英文名: Ethyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate
• CAS号: 23903-46-0
• 分子量: 210.25300
• 密度: 1.29g/cm3
• 沸点: 386.6ºC at 760mmHg
• 分子式: C₉H₁₀N₂O₂S
• 熔点: N/A
• 闪点: 187.6ºC

名称

• 中文名: Ethyl 5-氨基-4-氰基-3-甲基-2-噻吩羧酸乙酯
• 英文名: ethyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

物理化学性质

• 密度: 1.29g/cm3
• 沸点: 386.6ºC at 760mmHg
• 分子式: C₉H₁₀N₂O₂S
• 分子量: 210.25300
• 闪点: 187.6ºC
• 精确质量: 210.04600
• PSA: 104.35000
• LogP: 2.26828
• InChIKey: NCCMCRFYSZRBBG-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1sc(N)c(C#N)c1C
• 蒸汽压: 3.49E-06mmHg at 25°C
• 折射率: 1.574
• 分子结构:

  1、 摩尔折射率：53.44

  2、 摩尔体积（cm³/mol）：161.9

  3、 等张比容（90.2K）：448.0

  4、 表面张力（dyne/cm）：58.5

  5、 极化率（10-24cm3）：21.18

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.4

  2.氢键供体数量:1

  3.氢键受体数量:5

  4.可旋转化学键数量:3

  5.互变异构体数量:4

  6.拓扑分子极性表面积104

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:273

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

安全信息

• 海关编码: 2934999090

海关

• 海关编码: 2934999090
• 中文概述: 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

靶点实验

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英文别名

• ethyl 2-amino-3-cyano-4-methylthiophene-5-carboxylate
• Ethyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate
• MFCD00463473
• 2-amino-3-cyano-4-methyl-5-carboethoxythiophene
• 5-Amino-4-cyan-3-methyl-thiophen-2-carbonsaeure-ethylester
• 5-Amino-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester
• ethyl 5-amino-3-methyl-4-cyano-2-thiophenecarboxylate