双(对-甲苯磺酰)甲烷

• 常用名: 双(对-甲苯磺酰)甲烷
• 英文名: Bis-(toluene-4-sulfonyl)-methane
• CAS号: 15310-28-8
• 分子量: 324.41500
• 密度: 1.298g/cm3
• 沸点: 557.6ºC at 760mmHg
• 分子式: C₁₅H₁₆O₄S₂
• 熔点: N/A
• 闪点: 367.2ºC

双(对-甲苯磺酰)甲烷名称

• 中文名: 双(对-甲苯磺酰)甲烷
• 英文名: 1-methyl-4-[(4-methylphenyl)sulfonylmethylsulfonyl]benzene
• 中文别名: 双-(甲苯-4-磺酰)甲烷

双(对-甲苯磺酰)甲烷物理化学性质

• 密度: 1.298g/cm3
• 沸点: 557.6ºC at 760mmHg
• 分子式: C₁₅H₁₆O₄S₂
• 分子量: 324.41500
• 闪点: 367.2ºC
• 精确质量: 324.04900
• PSA: 85.04000
• LogP: 4.67010
• InChIKey: XLOXYWLRAKCDQL-UHFFFAOYSA-N
• SMILES: Cc1ccc(S(=O)(=O)CS(=O)(=O)c2ccc(C)cc2)cc1
• 蒸汽压: 6.78E-12mmHg at 25°C
• 折射率: 1.578
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料： 氧化物
• 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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积85

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:473

  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

双(对-甲苯磺酰)甲烷MSDS

双(对-甲苯磺酰)甲烷MSDS英文版

双(对-甲苯磺酰)甲烷毒性和生态

双(对-甲苯磺酰)甲烷生态学数据:

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

双(对-甲苯磺酰)甲烷安全信息

• 海关编码: 2904100000

双(对-甲苯磺酰)甲烷海关

• 海关编码: 2904100000
• 中文概述: 2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

双(对-甲苯磺酰)甲烷靶点实验

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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

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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：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1100

实验名称：qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in... 来源：NCGC 靶标：TDP1 protein [Homo sapiens] External Id：TDP1101

实验名称：Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas... 来源：Broad Institute 靶标：N/A External Id：2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2

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：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 for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima... 来源：NCGC 靶标：apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7] External Id：AMA1100

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双(对-甲苯磺酰)甲烷英文别名

• Bis-(toluene-4-sulfonyl)-methane
• bis-(p-tolysulfonyl)methane
• bis-(toluene-p-sulfonyl)methane
• bis(p-tolylsulphonyl)methane
• bis(tolylsulfonyl)methane
• 1,1'-(methanediyldisulfonyl)bis(4-methylbenzene)
• Bis-(toluene-4-sulfonyl)methane
• Bis-(toluol-4-sulfonyl)-methan