1,3-苯并噻唑-2-羧酸乙酯

• 常用名: 1,3-苯并噻唑-2-羧酸乙酯
• 英文名: Ethyl 1,3-benzothiazole-2-carboxylate
• CAS号: 32137-76-1
• 分子量: 207.249
• 密度: 1.3±0.1 g/cm3
• 沸点: 312.8±25.0 °C at 760 mmHg
• 分子式: C₁₀H₉NO₂S
• 熔点: 66-68ºC
• 闪点: 142.9±23.2 °C

1,3-苯并噻唑-2-羧酸乙酯名称

• 中文名: 1,3-苯并噻唑-2-羧酸乙酯
• 英文名: ethyl 1,3-benzothiazole-2-carboxylate
• 中文别名: 苯并噻吩-2-甲酸乙酯 | 2-苯并噻唑羧酸乙酯 | 苯并噻唑-2-羧酸乙酯

1,3-苯并噻唑-2-羧酸乙酯物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 312.8±25.0 °C at 760 mmHg
• 熔点: 66-68ºC
• 分子式: C₁₀H₉NO₂S
• 分子量: 207.249
• 闪点: 142.9±23.2 °C
• 精确质量: 207.035400
• PSA: 67.43000
• LogP: 3.01
• InChIKey: VLQLCEXNNGQELL-UHFFFAOYSA-N
• SMILES: CCOC(=O)c1nc2ccccc2s1
• 外观性状: 固体;White to Almost white powder to crystal
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.627
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：56.97

  2、 摩尔体积（cm³/mol）：160.6

  3、 等张比容（90.2K）：433.0

  4、 表面张力（dyne/cm）：52.7

  5、 极化率（10-24cm3）：22.58

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积67.4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:222

  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）：66~68

1,3-苯并噻唑-2-羧酸乙酯MSDS

1,3-苯并噻唑-2-羧酸乙酯MSDS英文版

1,3-苯并噻唑-2-羧酸乙酯安全信息

• 危害码 (欧洲): Xi: Irritant;
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2934999090

1,3-苯并噻唑-2-羧酸乙酯海关

• 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%

1,3-苯并噻唑-2-羧酸乙酯靶点实验

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：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_Inhibitor_SinglePoint_HTS_Activity

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

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1,3-苯并噻唑-2-羧酸乙酯英文别名

• 2-ethoxycarbonylbenzothiazole
• Ethyl 1,3-benzothiazole-2-carboxylate
• Benzothiazole-2-carboxylic acid ethyl ester
• 2-benzothiazolecarboxylic acid,ethyl ester
• Ethyl Benzothiazole-2-carboxylate
• Ethyl1,3-benzothiazole-2-carboxylate
• benzothiazole-2-ethyl carboxylate
• Ethyl benzo[d]thiazole-2-carboxylate
• 2-Benzothiazolecarboxylic acid, ethyl ester
• ethyl 2-benzothiazolecarboxylate