Guanylthiourea | 81152-58-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Guanylthiourea
• 英文别名: Carbamimidamidothiourea；(diaminomethylideneamino)thiourea
• CAS: 81152-58-1
• 化学式: C₂H₇N₅S
• mdl: MFCD03450761
• 分子量: 133.177
• InChiKey: PHKBWGVAGDUJIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Guanylthiourea 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 6.0h， 以25%的产率得到3-amino-1H-1,2,4-triazole-5-thiol
  参考文献：
  名称：

  Tolstikov, V. V.; Brykov, A. S.; Pevzner, M. S., Russian Journal of Applied Chemistry, 1998, vol. 71, # 1, p. 177 - 179

  摘要：

  DOI：
• 作为产物：
  描述：

  肼甲酰亚胺酰胺一氯化氢 、 硫脲 反应 0.67h， 以30%的产率得到Guanylthiourea
  参考文献：
  名称：

  Tolstikov, V. V.; Brykov, A. S.; Pevzner, M. S., Russian Journal of Applied Chemistry, 1998, vol. 71, # 1, p. 177 - 179

  摘要：

  DOI：

文献信息

• Syntheses of Novel 4-Polfluoroalkyl-Substituted 5,6-Oligomethylene Pyrimidines
  作者：Dmitrii V. Sevenard、Oleg G. Khomutov、Olga V. Koryakova、Valeriya V. Sattarova、Mikhail I. Kodess、Johannes Stelten、Ildiko Loop、Enno Lork、Kazimir I. Pashkevich、Gerd-Volker Röschenthaler

  DOI：10.1055/s-2000-8200

  日期：——

  2-Acylcycloalkanones having polyfluoroalkyl groups react with guanidine, urea, thiourea, methylisothiourea, benzamidine, guanylthiourea, dicyanodiamide, and trifluoroacetylurea by Lewis-acid catalysis to form the corresponding 5,6-oligomethylene pyrimidines. A decrease in the yields along with increase of polyfluoroalkyl substituent length in the molecule of the starting 1,3-diketone was observed in the case of reagents with lower nucleophilicity (urea, thiourea, dicyanodiamide). The pyrimidines obtained from aromatic aldehydes showed E-configuration with respect to the arylidene double bond. Tautomeric structures as a function of the substituent in 2 position in the pyrimidine ring both in liquid and solid state were investigated by X-ray diffraction, IR and NMR spectroscopy.

  含有多氟烷基团的2-酰基环烷酮与胍、尿素、硫脲、甲基异硫脲、苯基胍、氨基硫脲、二氰二胺和三氟乙酰尿素在路易斯酸催化下反应，形成相应的5,6-聚甲烯基嘧啶。观察到随着起始1,3-二酮分子中多氟烷基取代基长度的增加，对于核能性较低的试剂（如尿素、硫脲和二氰二胺），产率下降。由芳香醛获得的嘧啶相较于芳基烯烃双键显示E-构型。通过X射线衍射、红外光谱和核磁共振光谱研究了嘧啶环中2位取代基的变化对其互变异构体结构的影响，涉及液态和固态。
• Growth, spectral, optical, thermal, crystallization perfection and nonlinear optical studies of novel nonlinear optical crystal—Urea thiosemicarbazone monohydrate
  作者：Redrothu Hanumantharao、S. Kalainathan、G. Bhagavannarayana

  DOI：10.1016/j.saa.2012.02.023

  日期：2012.6

  Single crystals of organic nonlinear material urea thiosemicarbazone monohydrate (UTM) have been grown by slow evaporation method. The grown crystals were characterized by single crystal X-ray diffraction analysis reveals that sample crystallized in triclinic system with noncentrosymmetric space group P1. Powder XRD pattern confirmed that grown crystal posses highly crystalline nature. FTIR spectrum was recorded to identify the presence of functional groups and molecular structure was confirmed by H-1 NMR spectrum. Material confirmation of title compound has been performed by using mass spectroscopic analysis. Elemental composition of grown crystal was confirmed by energy-dispersive spectrometry (EDS). To study the crystalline perfection of the grown crystals, high-resolution X-ray diffraction (HR-XRD) study was carried out. Thermogravimetric and differential thermal analyses were employed to understand the thermal and physio-chemical stability of the synthesized compound. UV-Vis-NIR spectrum revealed the transmission properties of the crystal specimen. Relative SHG efficiency is measured by Kurtz and Perry method and found to about 0.89 times that of standard potassium dihydrogen phosphate (KDP) crystals. (C) 2012 Elsevier B.V. All rights reserved.