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4-([1,1'-联苯]-4-基)噻唑-2-胺

更新时间:2025-10-17 16:30:31

4-([1,1'-联苯]-4-基)噻唑-2-胺结构式
4-([1,1'-联苯]-4-基)噻唑-2-胺结构式
品牌特惠专场
常用名 4-([1,1'-联苯]-4-基)噻唑-2-胺 英文名 4-biphenyl-4-yl-thiazol-2-ylamine
CAS号 2834-79-9 分子量 252.33400
密度 1.23 g/cm3 沸点 489ºC at 760 mmHg
分子式 C15H12N2S 熔点 129-132 °C(lit.)
MSDS N/A 闪点 249.5ºC

 4-([1,1'-联苯]-4-基)噻唑-2-胺用途


有机合成。


 4-([1,1'-联苯]-4-基)噻唑-2-胺名称

中文名 2-氨基-4-(4-联苯基)噻唑
英文名 4-(4-phenylphenyl)-1,3-thiazol-2-amine
中文别名 4-联苯-4-噻唑-2-胺
英文别名 更多

 4-([1,1'-联苯]-4-基)噻唑-2-胺物理化学性质

密度 1.23 g/cm3
沸点 489ºC at 760 mmHg
熔点 129-132 °C(lit.)
分子式 C15H12N2S
分子量 252.33400
闪点 249.5ºC
精确质量 252.07200
PSA 67.15000
LogP 4.64050
InChIKey HTAUVJPDFDVVHV-UHFFFAOYSA-N
SMILES Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
蒸汽压 1.04E-09mmHg at 25°C
折射率 1.665
储存条件

密封避光保存。

计算化学

1.疏水参数计算参考值(XlogP):3.9

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积67.2

7.重原子数量:18

8.表面电荷:0

9.复杂度:257

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. 性状:无色粉末。

2. 密度(g/mL,25/4℃): 未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):206-208

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:未确定

8. 闪点(ºC):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(kPa,25ºC):未确定

12. 饱和蒸气压(kPa,60ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(KPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:溶于乙醇和乙醚,不溶于水。

 4-([1,1'-联苯]-4-基)噻唑-2-胺毒性和生态

 4-([1,1'-联苯]-4-基)噻唑-2-胺安全信息

危害码 (欧洲) Xi
风险声明 (欧洲) 25-41
安全声明 (欧洲) 26-39-45
海关编码 2934100090

 4-([1,1'-联苯]-4-基)噻唑-2-胺合成线路

~86%

4-([1,1'-联苯]-4-基)噻唑-2-胺结构式

4-([1,1'-联苯]-4-...

2834-79-9

文献:Hanke, Thomas; Dehm, Friederike; Liening, Stefanie; Popella, Sven-Desiderius; MacZewsky, Jonas; Pillong, Max; Kunze, Jens; Weinigel, Christina; Barz, Dagmar; Kaiser, Astrid; Wurglics, Mario; Laemmerhofer, Michael; Schneider, Gisbert; Sautebin, Lidia; Schubert-Zsilavecz, Manfred; Werz, Oliver Journal of Medicinal Chemistry, 2013 , vol. 56, # 22 p. 9031 - 9044

~%

4-([1,1'-联苯]-4-基)噻唑-2-胺结构式

4-([1,1'-联苯]-4-...

2834-79-9

文献:King; Hlavacek Journal of the American Chemical Society, 1950 , vol. 72, p. 3722

~%

4-([1,1'-联苯]-4-基)噻唑-2-胺结构式

4-([1,1'-联苯]-4-...

2834-79-9

文献:Yin, Guodong; Ma, Junrui; Shi, Houqiang; Tao, Qing Heterocycles, 2012 , vol. 85, # 8 p. 1941 - 1948

 4-([1,1'-联苯]-4-基)噻唑-2-胺海关

海关编码 2934100090
中文概述 2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 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 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 4-([1,1'-联苯]-4-基)噻唑-2-胺靶点实验

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: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
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 4-([1,1'-联苯]-4-基)噻唑-2-胺英文别名

4-Biphenyl-4-ylthiazol-2-ylamine
2-amino-4-(4-biphenyl)thiazole
4-(biphenyl-4-yl)-1,3-thiazol-2-amine
F0777-1464
4-(biphenyl-4-yl)thiazol-2-amine
2-Amino-4-(4-biphenylyl)thiazole
4-([1,1'-biphenyl]-4-yl)thiazol-2-amine
4-Biphenyl-4-yl-thiazol-2-ylamin
4-(1,1'-biphenyl)-4-yl-2-thiazolamine
USAF EK-4373
MFCD00047059
4-(1,1'-biphenyl-4-yl)-1,3-thiazol-2-amine
Thiazole,2-amino-4-(4-biphenylyl)
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