2-氨基-5-苯基噻吩-3-甲酸乙酯

• 常用名: 2-氨基-5-苯基噻吩-3-甲酸乙酯
• 英文名: Ethyl 2-amino-5-phenylthiophene-3-carboxylate
• CAS号: 4815-34-3
• 分子量: 247.31300
• 密度: 1.231 g/cm3
• 沸点: 415.4ºC at 760 mmHg
• 分子式: C₁₃H₁₃NO₂S
• 熔点: 117-120°C
• 闪点: 205ºC

2-氨基-5-苯基噻吩-3-甲酸乙酯名称

• 中文名: 2-氨基-5-苯基噻吩-3-甲酸乙酯
• 英文名: ethyl 2-amino-5-phenylthiophene-3-carboxylate
• 中文别名: 2-氨基-5-苯基-噻吩-3-羧酸乙酯

2-氨基-5-苯基噻吩-3-甲酸乙酯物理化学性质

• 密度: 1.231 g/cm3
• 沸点: 415.4ºC at 760 mmHg
• 熔点: 117-120°C
• 分子式: C₁₃H₁₃NO₂S
• 分子量: 247.31300
• 闪点: 205ºC
• 精确质量: 247.06700
• PSA: 80.56000
• LogP: 3.75520
• InChIKey: WIVNPGXPJBBZQH-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1cc(-c2ccccc2)sc1N
• 外观性状: 固体;White to Yellow to Green powder to crystal
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：69.87

  2、 摩尔体积（cm³/mol）：200.8

  3、 等张比容（90.2K）：534.2

  4、 表面张力（dyne/cm）：50.0

  5、 极化率（10-24cm3）：27.69

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.7

  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:4

  5.互变异构体数量:3

  6.拓扑分子极性表面积80.6

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:266

  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

• 更多:

  1. 熔点（ºC）：117～120

2-氨基-5-苯基噻吩-3-甲酸乙酯安全信息

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2934999090

2-氨基-5-苯基噻吩-3-甲酸乙酯海关

• 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%

2-氨基-5-苯基噻吩-3-甲酸乙酯靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

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：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen 来源：NCGC External Id：tdp43-p2-repeat

共120条，当前第1页，共12页

1

2

3

4

5

2-氨基-5-苯基噻吩-3-甲酸乙酯英文别名

• Ethyl 2-Amino-5-phenylthiophene-3-carboxylate
• ethyl 2-amino-5-phenyl-3-thiophenecarboxylate
• 2-amino-3-carboethoxy-5-phenylthiophene
• ethyl 2-amino-5-phenyl-thiophene-3-carboxylate
• MFCD01829801
• 2-amino-5-phenylthiophen-3-carboxylic Acid Ethyl Ester
• 2-Amino-5-phenyl-thiophene-3-carboxylic acid ethyl ester