2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯

• 常用名: 2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯
• 英文名: Ethyl 4-hydroxy-2-methylthio-5-pyrimidinecarboxylate
• CAS号: 53554-29-3
• 分子量: 214.242
• 密度: 1.4±0.1 g/cm3
• 沸点: 333.9±52.0 °C at 760 mmHg
• 分子式: C₈H₁₀N₂O₃S
• 熔点: 136-144ºC
• 闪点: 155.7±30.7 °C

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯名称

• 中文名: 1,4-二氢-2-甲巯基-4-氧代-5-嘧啶甲酸乙酯
• 英文名: Ethyl 4-hydroxy-2-methylthio-5-pyrimidinecarboxylate
• 中文别名: 4-羟基-2-甲硫基嘧啶-5-甲酸乙酯 | 2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯 | 乙基-4-羟基-2-(甲硫基)嘧啶-5-羧酸乙酯 | 2-甲硫基-4-羟基嘧啶-5-甲酸乙酯 | 2-甲硫基-4-羟基-5-嘧啶甲酸乙酯

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 333.9±52.0 °C at 760 mmHg
• 熔点: 136-144ºC
• 分子式: C₈H₁₀N₂O₃S
• 分子量: 214.242
• 闪点: 155.7±30.7 °C
• 精确质量: 214.041214
• PSA: 97.61000
• LogP: 0.34
• InChIKey: HDIWKNXVBQPJCO-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cnc(SC)[nH]c1=O
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.601
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.6

  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:4

  5.互变异构体数量:5

  6.拓扑分子极性表面积:93.1

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:323

  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

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯MSDS

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯MSDS英文版

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯安全信息

• 危害码 (欧洲): Xi
• 海关编码: 2933599090

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯海关

• 海关编码: 2933599090
• 中文概述: 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯靶点实验

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实验名称：NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L... 来源：DTP/NCI 靶标：N/A External Id：MCF7_OneDose

实验名称：NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell... 来源：DTP/NCI 靶标：N/A External Id：IGROV1_OneDose

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

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2-(甲硫基)-4-羟基嘧啶-5-甲酸乙酯英文别名

• Ethyl 2-(methylsulfanyl)-4-oxo-1,4-dihydro-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-(methylthio)-4-oxo-, ethyl ester
• Ethyl 2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
• Ethyl 1,4-dihydro-2-(methylthio)-4-oxo-5-pyrimidinecarboxylate
• 5-Pyrimidinecarboxylic acid, 1,6-dihydro-2-(methylthio)-6-oxo-, ethyl ester
• Ethyl 2-(methylsulfanyl)-4-oxo-1,4-dihydropyrimidine-5-carboxylate
• ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
• 5-pyrimidinecarboxylic acid, 4-hydroxy-2-(methylthio)-, ethyl ester
• Ethyl 4-hydroxy-2-(methylsulfanyl)-5-pyrimidinecarboxylate
• ethyl 4-hydroxy-2-(methylsulfanyl)pyrimidine-5-carboxylate
• Ethyl 2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylate
• ethyl 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxylate
• MFCD00023234
• Ethyl 4-hydroxy-2-methylthio-5-pyrimidinecarboxylate