5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione | 7271-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
• CAS: 7271-32-1
• 化学式: C₄H₄N₆S₂
• 分子量: 200.248
• InChiKey: PVZGJUWWGNFNLO-UHFFFAOYSA-N

物化性质

• 熔点：
  >260 °C
• 沸点：
  286.0±23.0 °C(Predicted)
• 密度：
  2.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  O,O-二乙基硫代磷酰氯 、 5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 60.0h， 以70%的产率得到[5-(3-diethoxyphosphinothioylsulfanyl-1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
  参考文献：
  名称：

  Efficacy of Organophosphorus Derivatives against Fungal Pathogens of Sugarcane

  摘要：

  Several novel oraganophosphorus derivatives have been prepared by the reactions of O,O-diethyl chlorophosphate/thiophosphate with three important series of heterocyclic compounds, viz., bis(mercaptotriazoles), bis(mercaptooxadiazoles), and bis(mercaptothiadiazoles). The derivatives have been characterized on the basis of analyses and spectral (IR, (1)H NMR, and (31)P NMR) data. The fungicidal activity of these derivatives against Colletotrichum falcatum, Fusarium oxysporum, and Curvularia pallescens have been evaluated. The screening results have been correlated with the structural features of the tested compounds. The greater potency has been observed with dithiophosphates compared to phosphates, with organophosphorus derivatives containing bis(mercaptotriazole) rings compared to other heterocyclic rings, and with long spacers between the rings.

  DOI：

  10.1021/jf970544t
• 作为产物：
  描述：

  乙二酸二酰肼 、 硫氰酸铵 在 sodium hydroxide 作用下， 生成 5-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1,2-dihydro-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Efficacy of Organophosphorus Derivatives against Fungal Pathogens of Sugarcane

  摘要：

  Several novel oraganophosphorus derivatives have been prepared by the reactions of O,O-diethyl chlorophosphate/thiophosphate with three important series of heterocyclic compounds, viz., bis(mercaptotriazoles), bis(mercaptooxadiazoles), and bis(mercaptothiadiazoles). The derivatives have been characterized on the basis of analyses and spectral (IR, (1)H NMR, and (31)P NMR) data. The fungicidal activity of these derivatives against Colletotrichum falcatum, Fusarium oxysporum, and Curvularia pallescens have been evaluated. The screening results have been correlated with the structural features of the tested compounds. The greater potency has been observed with dithiophosphates compared to phosphates, with organophosphorus derivatives containing bis(mercaptotriazole) rings compared to other heterocyclic rings, and with long spacers between the rings.

  DOI：

  10.1021/jf970544t

文献信息

• Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages
  作者：Hui Wang、Xiaoling Xu、Yimin Jiang、Pengfei Yao、Bo Li、Huahong Zou、Jinglin Zhou、Zilu Chen

  DOI：10.1039/c8dt03444c

  日期：——

  The reactions of 3,3′-bis(5-mercapto-1,2,4-triazole) with Co(II) and Ni(II) ions, respectively, gave two nanospheric mixed-valence icosanuclear cage-like complexes [M20L12](SO4)2·6DMF·CH3OH·3H2O (M = Co, 1; Ni, 2) with the in situ generated oxalyldithiosemicarbazide (H4L) as ligand. The eight octahedral M(II) ions and twelve square-planar M(III) ions in the two complexes are linked by twelve three-connecting

  3,3'-双（5-巯基-1,2,4-三唑）分别与Co（II）和Ni（II）离子反应，得到两种纳米球形混合价二十碳五碳环笼形复合物[M 20 L 12 ]（SO 4）2 ·6DMF·CH 3 OH·3H 2 O（M = Co，1 ; Ni，2），以原位生成的草酰二硫代氨基脲（H 4 L）作为配体。两个络合物中的八个八面体M（II）离子和十二个正方形平面M（III）离子通过L 4−的十二个三连接接头相连，以构建二十核[MII 8 M III 12 L 12 ] 4+纳米笼，带有内部立方M II 8笼芯。他们的笼子骨架在水中是稳定的。硫酸根阴离子驻留在笼门上。两种配合物的磁性测量表明，两种配合物中金属离子之间都存在主要的反铁磁相互作用。
• 一种含硫-硫键的双核Cd(Ⅱ)配合物及其原位合成方法
  申请人：广西师范大学

  公开号：CN109867689A

  公开（公告）日：2019-06-11

  本发明公开了一种含硫‑硫键的双核Cd(Ⅱ)配合物及其原位合成方法，该双核Cd(Ⅱ)配合物的化学式为:[Cd2(H6L1)2]·4H2O,其中H8L1为三个3,3’‑二(5‑巯基‑1,2,4‑三氮唑)通过两对硫‑硫键连接而成的链状三聚体。配合物的原位合成方法，包括下述步骤：（1）称取0.04‑0.05g 3,3’‑二(5‑巯基‑1,2,4‑三氮唑)和0.06‑0.07g六水合硝酸镉，于9‑11mL二甲基甲酰胺中混合，常温搅拌25‑35 min；（2）将上述混合液移入到带聚四氟乙烯内衬的容积为25mL的水热反应釜中，置于150‑170ºC的恒温烘箱中，3‑4 d后降温至室温，过滤；（3）将上述滤液置于烧杯中，在室温下自然挥发，得到单晶级无色针状晶体。本发明配合物在抗菌、抗肿瘤以及作为药物靶向释放的载体等方面具有潜在的应用价值。
• 一种含硫-硫键的四聚大环三核铁配合物及其原位合成方法
  申请人：广西师范大学

  公开号：CN109970767A

  公开（公告）日：2019-07-05

  本发明公开一种含硫‑硫键的四聚大环三核铁配合物及其原位合成方法，该铁配合物的化学式为:[Fe3(L1)·5H2O]，其中H8L1为四个3,3’‑二(5‑巯基‑1,2,4‑三氮唑)通过硫‑硫键形成的大环配体。该铁配合物的原位合成方法，包括下述步骤：（1）称取0.04‑0.05g 3,3’‑二(5‑巯基‑1,2,4‑三氮唑)和0.08‑0.09g九水合硝酸铁Fe(NO3)3·9H2O，于8‑9 mL二甲基甲酰胺中混合，混合液在室温下搅拌反应6‑7h；（2）将上述混合液过滤，将滤液置于烧杯中，在室温下自然挥发，得到单晶级黑色片状晶体。本发明铁配合物在抗菌、抗肿瘤以及作为药物靶向释放的载体等方面具有潜在的应用价值，该方法在含硫‑硫键的大环金属配合物的原位合成方面有广泛应用前景。