1-苯并噻酚-2-基甲胺

• 常用名: 1-苯并噻酚-2-基甲胺
• 英文名: 1-benzothiophen-2-ylmethylamine
• CAS号: 6314-43-8
• 分子量: 163.240
• 密度: 1.2±0.1 g/cm3
• 沸点: 303.9±17.0 °C at 760 mmHg
• 分子式: C₉H₉NS
• 熔点: 58ºC
• 闪点: 137.6±20.9 °C

1-苯并噻酚-2-基甲胺名称

• 中文名: 1-苯并噻酚-2-基甲胺
• 英文名: Benzo[b]thiophen-2-ylmethanamine
• 中文别名: 苯并噻吩-2-甲胺

1-苯并噻酚-2-基甲胺物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 303.9±17.0 °C at 760 mmHg
• 熔点: 58ºC
• 分子式: C₉H₉NS
• 分子量: 163.240
• 闪点: 137.6±20.9 °C
• 精确质量: 163.045563
• PSA: 54.26000
• LogP: 3.25
• InChIKey: WKYFWFHTABURGB-UHFFFAOYSA-N
• SMILES: NCc1cc2ccccc2s1
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.692
• 储存条件: 2-8℃，避光，惰性气体保存
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积:54.3

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:138

  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

1-苯并噻酚-2-基甲胺MSDS

1-苯并噻酚-2-基甲胺MSDS英文版

1-苯并噻酚-2-基甲胺安全信息

• 危害码 (欧洲): C
• 危险品运输编码: UN 3259
• 海关编码: 2934999090

1-苯并噻酚-2-基甲胺海关

• 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-苯并噻酚-2-基甲胺靶点实验

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实验名称：Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50 External Id：HMS1262

实验名称：Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-h... 来源：ChEMBL 靶标：Cytochrome P450 2A6 External Id：CHEMBL1924632

实验名称：Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin ... 来源：ChEMBL 靶标：Cytochrome P450 2A6 External Id：CHEMBL3390302

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：Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin ... 来源：ChEMBL 靶标：Cytochrome P450 2A6 External Id：CHEMBL3390303

实验名称：Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu... 来源：15621 靶标：G protein-activated inward rectifier potassium channel 2 External Id：VANDERBILT_HTS_GIRK2_HPP

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1-苯并噻酚-2-基甲胺英文别名

• 1-(1-Benzothiophen-2-yl)methanamine
• Benzo[b]thiophene-2-methanamine
• 1-benzothiophen-2-ylmethylamine
• Benzo[b]thiophene-2-methylamine
• 1-benzothiophen-2-ylmethanamine