4-氨基-5-氯噻吩-2-甲酸甲酯

• 常用名: 4-氨基-5-氯噻吩-2-甲酸甲酯
• 英文名: Methyl 4-amino-5-chlorothiophene-2-carboxylate
• CAS号: 89499-44-5
• 分子量: 191.635
• 密度: 1.5±0.1 g/cm3
• 沸点: 351.8±37.0 °C at 760 mmHg
• 分子式: C₆H₆ClNO₂S
• 熔点: 84-87°C
• 闪点: 166.6±26.5 °C

4-氨基-5-氯噻吩-2-甲酸甲酯名称

• 中文名: 4-氨基-5-氯噻吩-2-甲酸甲酯
• 英文名: Methyl 4-amino-5-chlorothiophene-2-carboxylate

4-氨基-5-氯噻吩-2-甲酸甲酯物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 351.8±37.0 °C at 760 mmHg
• 熔点: 84-87°C
• 分子式: C₆H₆ClNO₂S
• 分子量: 191.635
• 闪点: 166.6±26.5 °C
• 精确质量: 190.980774
• PSA: 80.56000
• LogP: 1.70
• InChIKey: RUAIJHHRCIHFEV-UHFFFAOYSA-N
• SMILES: COC(=O)c1cc(N)c(Cl)s1
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.612
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：45.54

  2、 摩尔体积（cm³/mol）：131.0

  3、 等张比容（90.2K）：356.9

  4、 表面张力（dyne/cm）：55.0

  5、 极化率（10-24cm3）：18.05

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.1

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积80.6

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:167

  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

4-氨基-5-氯噻吩-2-甲酸甲酯安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2934999090

4-氨基-5-氯噻吩-2-甲酸甲酯海关

• 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%

4-氨基-5-氯噻吩-2-甲酸甲酯靶点实验

查看更多实验

实验名称：High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS1303

实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

实验名称：A screen for compounds that inhibit viral RNA polymerase binding and polymerization a... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：Chain A, Poliovirus Polymerase With Gtp External Id：HMS750

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4-氨基-5-氯噻吩-2-甲酸甲酯英文别名

• Methyl 4-amino-5-chloro-2-thiophenecarboxylate
• MFCD00508459
• Methyl 4-amino-5-chlorothiophene-2-carboxylate
• 2-Thiophenecarboxylic acid, 4-amino-5-chloro-, methyl ester