disodium,N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate | 871-67-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: disodium,N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
• 英文别名: disodium hexamethylenetetrathiocarbamate；N,N'-hexanediyl-bis-dithiocarbamic acid ; disodium-salt；N,N'-Hexandiyl-bis-dithiocarbamidsaeure; Dinatrium-Salz
• CAS: 871-67-0；13036-90-3；92876-33-0
• 化学式: C₈H₁₄N₂S₄*2Na
• 分子量: 312.456
• InChiKey: VKPQBCZJFASPGO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.61
• 重原子数：
  15.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  24.06
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  disodium,N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 44.0h， 生成
  参考文献：
  名称：

  Dinuclear zinc bis(thiosemicarbazone) complexes: Synthesis, in vitro anticancer activity, cellular uptake and DNA interaction study

  摘要：

  Four dinucleating bis(thiosemicarbazone) ligands and their zinc complexes have been synthesized and characterized by multinuclear NMR (H-1 and C-13), IR, UV-Vis, ESI-MS and fluorescence spectroscopic techniques. Their purity was assessed by elemental analysis. Cytotoxicity was tested against five human cancer cell lines using the sulphorhodamine B (SRB) assay, where one of the complexes, 1,3-bis{biacetyl-2'-(4 ''-N-pyrrolidinylthiosemicarbazone)-3'-(4 ''-N-pyrrolidinylthiosemicarbazone) zinc(II)} propane (6), was found to be quite cytotoxic against MCF-7 (breast cancer) and HepG2 (hepatoma cancer) cell lines, with a potency similar to that of the well known anticancer drug adriamycin. It is evident from the cellular uptake studies that the uptake is same for the active complex 6 and the inactive complex 8 (1,6-bis{biacetyl- 2'-(4 ''-N-pyrrolidinylthiosemicarbazone)-3'-(4 ''-N-pyrrolidinylthiosemicarbazone) zinc(II)} hexane) in MCF-7 and HepG2 cell lines. In vitro DNA binding and cleavage studies revealed that all complexes bind with DNA through electrostatic interaction, and cause no significant cleavage of DNA. (C) 2'13 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.09.014
• 作为产物：
  描述：

  二硫化碳 、 1,6-己二胺 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 10.0h， 以2498 kg的产率得到disodium,N-[6-(sulfidocarbothioylamino)hexyl]carbamodithioate
  参考文献：
  名称：

  六亚甲基四硫代氨基甲酸或其盐及其制备方法、含有六亚甲基四硫代氨基甲酸或其盐的溶液

  摘要：

  本发明涉及一种六亚甲基四硫代氨基甲酸或其盐及其制备方法、含有六亚甲基四硫代氨基甲酸或其盐的溶液，属于污水处理技术领域。本发明的六亚甲基四硫代氨基甲酸或其盐，所述六亚甲基四硫代氨基甲酸的结构式如式Ⅰ所示，所述六亚甲基四硫代氨基甲酸盐的结构式如式Ⅱ或式Ⅲ所示，式中，所述M+各自独立地选自Na+、K+或NH4+。式Ⅰ所示的六亚甲基四硫代氨基甲酸与碱共用，式Ⅱ所示的六亚甲基四硫代氨基甲酸盐亦与碱共用。式Ⅰ、式Ⅱ和式Ⅲ所示的六亚甲基四硫代氨基甲酸或其盐均对重金属离子具有优异的捕捉能力，能够有效捕捉镍、铅等重金属离子；且用量少，气味小，使用过程中安全环保。

  公开号：

  CN110483353A

文献信息

• Compound heavy metal chelating agent containing dithiocarboxylate functionalized ethoxylated pentaerythritol core hyperbranched polymer
  申请人：Shandong Xintai Water Treatment Technology Co., Ltd.

  公开号：US20200377391A1

  公开（公告）日：2020-12-03

  A compound heavy metal chelating agent, which relates to the field of chemical and environmental protection technology, includes dithiocarboxylate functionalized ethoxylated pentaerythritol core hyperbranched polymer and alkylene diamine-N,N′-sodium bisdithiocarboxylate with a molar ratio in a range of 1:1.0 to 1:10.0. The two different structural types of components have the synergistic positive effect. While chelating heavy metals, the compound heavy metal chelating agent alternately combine with heavy metals to form insoluble chelating super-molecular deposits, which has both chelation and flocculation functions. The compound heavy metal chelating agent provided by the present invention is able to reach the standard for treating heavy metal wastewater, and especially low concentration heavy metal wastewater. It has a wide adaptability range, and does not need to add coagulant. Moreover, it is simple in preparation method, easily available for raw materials, low in cost, and easy to be industrialized.

  一种复合重金属螯合剂，涉及化学和环境保护技术领域，包括二硫代羧酸酯官能化的乙氧基化对羟基四羟基甲烷核超支化聚合物和烷基二胺-N,N′-二硫代羧酸钠，其摩尔比范围为1:1.0至1:10.0。这两种不同结构类型的组分具有协同的正面效应。在螯合重金属时，该复合重金属螯合剂交替与重金属结合形成不溶性螯合超分子沉积物，具有螯合和絮凝功能。本发明提供的复合重金属螯合剂能够达到处理重金属废水的标准，特别是低浓度重金属废水。它具有广泛的适应范围，无需添加混凝剂。此外，它的制备方法简单，原料易得，成本低，易于工业化。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C2, 8.14.1, page 987 - 998
  作者：

  DOI：——

  日期：——
• Co-ordination polymers of ethylenebisdithiocarbamate and hexamethylenebisdithiocarbamate
  作者：L.C.A. Thompson、R.O. Moyer

  DOI：10.1016/0022-1902(65)80241-x

  日期：1965.10
• Kloepping; van der Kerk, Recueil des Travaux Chimiques des Pays-Bas, 1951, vol. 70, p. 949,959
  作者：Kloepping、van der Kerk

  DOI：——

  日期：——
• Terent'ev, A. P.; Rukhadze, E. G.; Rode, V. V., Vysokomolekulyarnye Soedineniya, 1962, vol. 4, p. 821 - 827
  作者：Terent'ev, A. P.、Rukhadze, E. G.、Rode, V. V.

  DOI：——

  日期：——