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1-(benzenesulfinylmethyl)-4-nitro-benzene

更新时间:2025-09-05 17:53:03

1-(benzenesulfinylmethyl)-4-nitro-benzene结构式
1-(benzenesulfinylmethyl)-4-nitro-benzene结构式
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常用名 1-(benzenesulfinylmethyl)-4-nitro-benzene 英文名 1-(benzenesulfinylmethyl)-4-nitro-benzene
CAS号 17530-84-6 分子量 261.29600
密度 1.38g/cm3 沸点 491.1ºC at 760 mmHg
分子式 C13H11NO3S 熔点 N/A
MSDS N/A 闪点 250.8ºC

 名称

英文名 1-(benzenesulfinylmethyl)-4-nitrobenzene
英文别名 更多

 物理化学性质

密度 1.38g/cm3
沸点 491.1ºC at 760 mmHg
分子式 C13H11NO3S
分子量 261.29600
闪点 250.8ºC
精确质量 261.04600
PSA 82.10000
LogP 4.29150
InChIKey JUMCUNXWSXBYDI-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(CS(=O)c2ccccc2)cc1
蒸汽压 2.6E-09mmHg at 25°C
折射率 1.674

 合成线路

~97%

1-(benzenesulfinylmethyl)-4-nitro-benzene结构式

1-(benzenesulfi...

17530-84-6

文献:Fazaeli, Razieh; Aliyan, Hamid; Moghadam, Majid; Masoudinia, Mona Journal of Molecular Catalysis A: Chemical, 2013 , vol. 374-375, p. 46 - 52

~56%

1-(benzenesulfinylmethyl)-4-nitro-benzene结构式

1-(benzenesulfi...

17530-84-6

文献:Kersten, Mathias; Wenschuh, Eberhard Phosphorus, Sulfur and Silicon and the Related Elements, 1993 , vol. 80, # 1-4 p. 81 - 84

~%

1-(benzenesulfinylmethyl)-4-nitro-benzene结构式

1-(benzenesulfi...

17530-84-6

文献:Makosza, M.; Golinski, J.; Pankowski, J. Synthesis, 1983 , # 1 p. 40 - 42

~%

1-(benzenesulfinylmethyl)-4-nitro-benzene结构式

1-(benzenesulfi...

17530-84-6

文献:Nishio Chemical and pharmaceutical bulletin, 1967 , vol. 15, # 11 p. 1669 - 1676

 靶点实验

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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: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: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
实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id:ABHD4_INH_FP_1536_1X%INH PRUN
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 英文别名

p-nitrobenzyl phenyl sulfoxide
(4-Nitro-benzyl)-phenyl-sulfoxid
p-Nitrobenzyl-phenyl-sulfoxid
Phenyl-4-nitrobenzyl-sulfoxid
4-nitrobenzyl phenyl sulfoxide
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