886-60-2 (1-苯基-3-(2-吡啶基)-2-硫脲,1-Phenyl-3-(2-pyridyl)-2-thiourea)

CAS号:
886-60-2
中文名称:
1-苯基-3-(2-吡啶基)-2-硫脲
英文名称:
1-Phenyl-3-(2-pyridyl)-2-thiourea
分子式:
C12H11N3S
分子量:
229.300840616226

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)名称与标识符

名称

中文别名:
1-苯基-3-(2-吡啶基)-2-硫脲;1-苯基-3-(2-吡啶)-2-硫脲;
英文别名:
1-Phenyl-3-(2-pyridyl)-2-thiourea;1-phenyl-3-pyridin-2-ylthiourea;1-Phenyl-3-pyridin-2-yl-thiourea;EINECS 212-951-0;N-Phenyl-N'-2-pyridylthiourea;N-Phenyl-N'-pyrid-2-yl-thioharnstoff;Thiourea,N-phenyl-N'-2-pyridinyl;N-Phenyl-N′-2-pyridinylthiourea (ACI);Urea, 1-phenyl-3-(2-pyridyl)-2-thio- (6CI, 7CI, 8CI);1-Phenyl-3-(2-pyridyl)thiourea;1-Phenyl-3-(pyridin-2-yl)thiourea;3-Phenyl-1-(2-pyridyl)thiourea;N,N′-α-Pyridylphenylthiourea;N-Phenyl-N′-(2-pyridinyl)thiourea;N-Phenyl-N′-(2-pyridyl)thiourea;N-Phenyl-N′-α-pyridylthiourea;NSC 161945;Thiourea, N-phenyl-N'-2-pyridinyl-;NSC-830416;NS00039286;SMR000282607;WLN: T6NJ BMYUS&MR;MFCD00023430;STK730821;N-PHENYL-N'-(2-PYRIDYL)THIOUREA;AI3-63147;SCHEMBL2634977;P-2-PTU;HMS1676N10;DB-057094;N-2-pyridyl-N'-phenylthiourea;AKOS000601667;1-(2-Pyridyl)-3-phenylthiourea;CHEMBL1971338;5-22-08-00345 (Beilstein Handbook Reference);SR-01000397811;BRN 0169885;PHTU;EN300-11741374;N-phenyl-N'-(2-pyridinyl)thiourea;886-60-2;3-phenyl-1-(pyridin-2-yl)thiourea;BDBM50448192;NSC-161945;F0769-0076;MLS000712840;SR-01000397811-1;CS-0314481;DTXSID40237196;Oprea1_317238;AE-848/01008063;DTXCID40159687;NSC161945;BRD-K72676550-001-05-8;Urea, 1-phenyl-3-(2-pyridyl)-2-thio-;NSC830416;Z56791085;

标识符

MDL:
MFCD00023430
InChIKey:
JFHXWMRFXORESD-UHFFFAOYSA-N
Inchi:
1S/C12H11N3S/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
SMILES:
S=C(NC1C=CC=CC=1)NC1C=CC=CN=1

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)物化性质

实验特性

  • LogP : 3.03650
  • PSA : 69.04000
  • 折射率 : 1.761
  • 沸点 : 371 °C at 760 mmHg
  • 熔点 : 173°C
  • 闪点 : 371 °C at 760 mmHg
  • 密度 : 1.341

计算特性

  • 精确分子量 : 229.06700
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 4
  • 同位素质量 : 229.067368
  • 重原子数量 : 16
  • 复杂度 : 226
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.3
  • 互变异构体数量 : 5
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 69

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)安全信息

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)国际标准相关数据

EINECS:
212-951-0

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)海关数据

海关编码:
2933399090
海关数据:

中国海关编码:

2933399090

概述:

2933399090. 其他结构含非稠合吡啶环的化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)推荐厂家 更多厂家(6)

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)合成路线

合成路线:1 步
反应条件:
参考文献:
Fused polycyclic nitrogen-containing heterocycles
Mamedov, V. A.; Zhukova, N. A.; Beschastnova, T. N.; Levin, Ya. A.; Gubaidullin, A. T.; et al, Russian Chemical Bulletin, 2007, 56(11), 2308-2314
合成路线:1 步
反应条件:
参考文献:
A novel thiourea derivative for preconcentration of copper(II), nickel(II), cadmium(II), lead(II) and iron(II) from seawater samples for Flame Atomic Absorption Spectrophotometry
Sanlier Ucak, Sengul; Aydin, Adnan, Marine Pollution Bulletin, 2022, 180,
合成路线:1 步
反应条件:
参考文献:
A Selective, Orally Bioavailable 1,2,4-Triazolo[1,5-a]pyridine-Based Inhibitor of Janus Kinase 2 for Use in Anticancer Therapy: Discovery of CEP-33779
Dugan, Benjamin J.; Gingrich, Diane E.; Mesaros, Eugen F.; Milkiewicz, Karen L.; Curry, Matthew A.; et al, Journal of Medicinal Chemistry, 2012, 55(11), 5243-5254
合成路线:1 步
反应条件:
参考文献:
Synthesis and antibacterial activity of pyridyl thioureas and arylthiosemicarbazones
Kumar, K. S.; Singh, S. K.; Pandeya, S. N., Bollettino Chimico Farmaceutico, 2001, 140(4), 238-242
合成路线:1 步
反应条件:
参考文献:
High-Pressure Organic Chemistry. Part 25. High-pressure-promoted addition of isothiocyanates to aminopyridines: efficient synthesis of pyridine-thiourea conjugates as building blocks for hydrogen-bonding receptors
Kumamoto, Koji; Misawa, Yoshihiro; Tokita, Sumio; Kubo, Yuji; Kotsuki, Hiyoshizo, Tetrahedron Letters, 2002, 43(6), 1035-1038
合成路线:1 步
反应条件:
参考文献:
Green synthesis of thiourea derivatives from nitrobenzenes using Ni nanoparticles immobilized on triazine-aminopyridine-modified MIL-101(Cr) MOF
Heidari, Sara; Alavinia, Sedigheh; Ghorbani-Vaghei, Ramin, Scientific Reports, 2023, 13(1),
合成路线:1 步
反应条件:
参考文献:
Synthesis and biological evaluation of novel 2-imino-4-thiazolidinones as potential antitumor agents for glioblastoma
Campos, Jose Coan; Campos, Patrick Teixeira; Pedra, Nathalia Stark; Bona, Natalia Pontes ; Soares, Mayara Sandrielly ; et al, Medicinal Chemistry (Sharjah, 2022, 18(4), 452-462
合成路线:1 步
反应条件:
参考文献:
Antimycobacterial and anti-inflammatory activities of thiourea derivatives focusing on treatment approaches for severe pulmonary tuberculosis
Calixto, Sanderson Dias; Simao, Thatiana Lopes Bia Ventura; Palmeira-Mello, Marcos Vinicius; Viana, Gil Mendes; Assumpcao, Paloma Wetler Meireles Carreiros; et al, Bioorganic & Medicinal Chemistry, 2022, 53,
合成路线:1 步
反应条件:
参考文献:
Diversity-Oriented Synthesis of Thiazolidine-2-imines via Microwave-Assisted One-Pot, Telescopic Approach and Its Interaction with Biomacromolecules
Saikia, Ananya Anubhav; Rao, Ramdas Nishanth; Maiti, Barnali ; Balamurali, Musuvathi Motilal ; Chanda, Kaushik, ACS Combinatorial Science, 2020, 22(11), 630-640
合成路线:1 步
反应条件:
参考文献:
1-(Methyldithiocarbonyl)imidazole: a useful thiocarbonyl transfer reagent for synthesis of substituted thioureas
Mohanta, Pramod K.; Dhar, Sanchita; Samal, S. K.; Ila, H.; Junjappa, H., Tetrahedron, 2000, 56(4), 629-637
合成路线:1 步
反应条件:
参考文献:
Organic reactions in ionic liquids: ionic liquid-promoted efficient synthesis of disubstituted and trisubstituted thiourea derivatives
Le, Zhang Gao; Chen, Zhen Chu; Hu, Yi; Zheng, Qin Guo, Chinese Chemical Letters, 2005, 16(2), 201-204
合成路线:1 步
反应条件:
参考文献:
Synthesis, phytotoxic, cytotoxic, acetylcholinesterase and butyrylcholinesterase activities of N,N'-diaryl unsymmetrically substituted thioureas
Begum, Saeedan; Choudhary, M. Iqbal; Khan, Khalid M., Natural Product Research, 2009, 23(18), 1719-1730
合成路线:1 步
反应条件:
参考文献:
Synthesis, crystal structure, characterization and studies on DNA binding of a novel copper(II) complex [Cu(PyPt)(NO3)2]
Liu, Dan; Zhou, Yin-Zhuang, Wuji Huaxue Xuebao, 2009, 25(10), 1797-1804
合成路线:1 步
反应条件:
参考文献:
Synthesis, characterization, crystal structure and luminescence properties of phosphinic silver(I) complexes with thiourea derivatives
Belicchi Ferrari, Marisa; Bisceglie, Franco; Cavalli, Enrico; Pelosi, Giorgio; Tarasconi, Pieralberto; et al, Inorganica Chimica Acta, 2007, 360(10), 3233-3240
合成路线:1 步
反应条件:
参考文献:
Spectroscopic (C-13 NMR, IR and UV-Vis.) and structural characterization and biological activity study of some new Mg(II), Mn(II), Fe(II), Cu(II), Zn(II), Cd(II), and La(III) complexes of 1-phenyl-3-(pyridin-2-yl)-2-thiourea
Sarkis, George Y.; Sarkis, Rony G., Dirasat: Pure Sciences, 2006, 33(1), 21-27
合成路线:1 步
参考文献:
Synthesis and spectral and biological activity of new complexes in N-phenyl-N'-(2-pyridyl)thiourea with manganese(II), iron(II), cobalt(II) and copper(II)
Sarkis, George Y.; Farah, Robin G., Abhath Al-Yarmouk, 2004, 13(1),
合成路线:1 步
反应条件:
参考文献:
Palladium(II) and platinum(II) complexes containing the mixed ligands N-phenyl-N'-(2-pyridinyl or 2-pyridinylmethyl)thiourea and diphosphines Ph2P(CH2)nPPh2 (n = 1-4)
Al-Hayaly, Lamaan J.; Abdullah, Bayazeed H.; Al-Dulaimi, Adnan A. N.; Al-Jibori, Subhi A., Oriental Journal of Chemistry, 2008, 24(2), 381-388
合成路线:1 步
反应条件:
参考文献:
Copper-Catalyzed Aerobic Oxidative [3+2] Annulation for the Synthesis of 5-Amino/Imino-Substituted 1,2,4-Thiadiazoles through C-N/N-S Bond Formation
Yu, Wentao; Huang, Yubing; Li, Jianxiao; Tang, Xiaodong; Wu, Wanqing ; et al, Journal of Organic Chemistry, 2018, 83(16), 9334-9343
合成路线:1 步
反应条件:
参考文献:
Synthesis and in vitro urease inhibitory activity of N,N'-disubstituted thioureas
Khan, Khalid Mohammed; Naz, Farzana; Taha, Muhammad; Khan, Ajmal; Perveen, Shahnaz; et al, European Journal of Medicinal Chemistry, 2014, 74, 314-323
合成路线:1 步
反应条件:
参考文献:
Sulfated-Tungstate-Catalyzed Synthesis of Ureas/Thioureas via Transamidation and Synthesis of Forchlorofenuron
Wagh, Ganesh D.; Pathare, Sagar P.; Akamanchi, Krishnacharya G., ChemistrySelect, 2018, 3(25), 7049-7053

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)上下游

1-苯基-3-(2-吡啶基)-2-硫脲(886-60-2)相关文献

  • 1. Pyridine adducts of arylbismuth(III) halides
    Sian C. James,Nicholas C. Norman,A. Guy Orpen J. Chem. Soc. Dalton Trans. 1999 2837
  • 2. Synthesis and X-ray crystal structure of trichlorotris[1-phenyl-3-(2-pyridyl)-2-thiourea-S]bismuth(III) and di-μ-chloro-tetrachlorotetrakis(NN′-diethylimidazolidine-2-thione-S)dibismuth(III)
    Luigi P. Battaglia,Anna Bonamartini Corradi J. Chem. Soc. Dalton Trans. 1983 2425
  • 3. Synthesis and X-ray crystal structure of trichlorotris[1-phenyl-3-(2-pyridyl)-2-thiourea-S]bismuth(III) and di-μ-chloro-tetrachlorotetrakis(NN′-diethylimidazolidine-2-thione-S)dibismuth(III)
    Luigi P. Battaglia,Anna Bonamartini Corradi J. Chem. Soc. Dalton Trans. 1983 2425