potassium thiomorpholine-4-carbodithiolate | 92754-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: potassium thiomorpholine-4-carbodithiolate
• 英文别名: Potassium(thiomorpholine-4-carbothioyl)sulfanide；potassium;thiomorpholine-4-carbodithioate
• CAS: 92754-62-6
• 化学式: C₅H₈NS₃*K
• 分子量: 217.422
• InChiKey: VAOQAMYNUCZMTI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.13
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  potassium thiomorpholine-4-carbodithiolate 在 盐酸 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 生成 Bis(thiomorpholino-thiocarbonyl)disulfid
  参考文献：
  名称：

  Bis(dialkylaminethiocarbonyl)disulfides as Potent and Selective Monoglyceride Lipase Inhibitors

  摘要：

  Monoglyceride lipase (MGL) inhibition may offer an approach in treating diseases in which higher 2-arachidonoyglycerol activity would be beneficial. We report here the synthesis and pharmacological evaluation of bis(dialkylaminethiocarbonyl)disulfide derivatives as irreversible MGL inhibitors. Inhibition occurs through interactions with MGL C208 and C242 residues, and these derivatives exhibit high inhibition selectivity over fatty acid amide hydrolase, another endocannabinoid-hydrolyzing enzyme.

  DOI：

  10.1021/jm901323s
• 作为产物：
  描述：

  硫代吗啉 、 二硫化碳 在 potassium hydroxide 作用下， 以 四氢呋喃 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 potassium thiomorpholine-4-carbodithiolate
  参考文献：
  名称：

  二硫杂铜（I）/ PPh 3配合物的合成，晶体结构和光学性质

  摘要：

  通式[（PPh 3）2 CuL]的新杂合铜（I）二硫代氨基甲酸铜和黄药酸酯配合物（L  = N-（4-吡啶基）-N-糠基二硫代氨基甲酸酯L1（1），硫吗啉代二硫代氨基甲酸酯L2（2），苯基哌嗪二硫代氨基甲酸酯L3（3），通过前体配合物[Cu（PPh 3）2 NO 3的复分解反应合成了糠基黄原酸酯L4（4）和吡啶-4-黄原酸酯L5（5）。]和配体（KL）的钾盐以等摩尔比计。这些配合物已通过元素分析和光谱法（IR，UV-Vis。，1 H，13 C和31 P NMR）进行了表征，其结构已通过X射线晶体学得以阐明。在所有五个结构中，发现铜原子都位于扭曲的四坐标（P 2 S 2）四面体几何形状内。的非线性光学性质1 - 5和的电子吸收带1和5已经分别通过DFT和TD-DFT方法进行了研究。在室温下，所有络合物在二氯甲烷溶液中均具有强发光性。的压制小球σ室温的〜10值-8 -10 -5 小号厘米-1显示他们的弱导电行为。

  DOI：

  10.1016/j.poly.2014.04.068

文献信息

• Mononuclear homoleptic organotin(IV) dithiocarbamates: Syntheses, structures and antimicrobial activities
  作者：Mamata Mahato、Shayantan Mukherji、Kristof Van Hecke、Klaus Harms、Abhrajyoti Ghosh、Hari Pada Nayek

  DOI：10.1016/j.jorganchem.2017.10.027

  日期：2017.12

  UV-visible spectroscopy and 1H, 13C1H} 119Sn1H} NMR spectroscopy. In addition, the solid-state structures of the complexes were established through single-crystal X-ray diffraction analyses. The X-ray analyses reveal that the Sn(IV) center is five-coordinated in 1, 3 and 6. In complexes 2, 4 and 5, Sn(IV) is six-coordinated and occupies the center of a distorted octahedron. Moreover, an asymmetric

  两个二硫代氨基甲酸酯配体[Ph 3 SnL 1 ]（1），[Bu 2 Sn（L 1）2 ]（2），[Ph 2 Sn（L 1）Cl]（3）的六种单核有机锡（IV）络合物， [Ph 2 Sn（L 1）2 ]（4），[Ph 2 Sn（L 2）2 ]（5）和[Ph 3 Sn（L 2）]（6）其中L 1  =硫代吗啉-4-碳二硫代盐，大号2 合成了高产率的2，6-二甲基吗啉-4-碳二硫代磺酸盐。两种配体和配合物1 - 6通过元素分析，FT-IR光谱，UV-可见光谱和表征1 H，13 C 1 1个H} 119的Sn 1个H} NMR光谱。另外，通过单晶X射线衍射分析建立了复合物的固态结构。X射线分析表明，该锡（IV）中心在五配位1，3和6。在配合物2，4和5，Sn（IV）是六配位的，并且位于变形的八面体的中心。此外，在所有配合物中均观察到二硫代氨基甲酸酯配体的不对称配位模式。研究了所有配合物的光
• New Cyclohexylamine-dithiocarbamate Derivatives as Potential Anti-microbial Agents
  作者：Leyla Yurttas、Betul Kaya、Meral Yilmaz Cankilic、Serkan Levent

  DOI：10.2174/1570180814666170412121402

  日期：2017.10.3

  Background: In this study, 2-(substituted-sulfanyl)-N,N-dicyclohexylacetamide derivatives (2a-2g) and 2-(dicyclohexylamino)-2-oxoethyl-1-substituted carbodithioate derivatives (2h-2m) were synthesized and screened for their antimicrobial activity. Methods: Newly synthesized compounds were screened against two gram negative bacteria (S. typhimurium and E.coli), three gram positive bacteria (S. aureus

  背景：在这项研究中，合成并筛选了2-（取代的硫烷基）-N，N-二环己基乙酰胺衍生物（2a-2g）和2-（二环己基氨基）-2-氧乙基-1-取代的碳二硫代酸酯衍生物（2h-2m）。其抗菌活性。 方法：对新合成的化合物进行筛选，以检测2克阴性细菌（鼠伤寒沙门氏菌和大肠杆菌），3克阳性细菌（金黄色葡萄球菌，蜡状芽孢杆菌和单核细胞增生李斯特菌），四种念珠菌属物种，四种曲霉属。和三个青霉菌属。其中（2a-2m）是化合物2i（2-（二环己基氨基）-2-氧乙基-硫代吗啉-4-碳二硫酸酯）和2k（2-（二环己基氨基）-2-氧乙基-4-（4-甲氧基苯基）哌嗪-1 -碳化二硫代酸酯）被发现比其他化合物具有更高的抑制作用。 结果与结论：测定的化合物的最低抑菌浓度（MIC）为97.5-390 µg / mL。此外，参数确定使用计算方法可以预测一些物理化学和毒性。
• Exploring the coordinative behaviour and molecular architecture of new PhHg(II)/Hg(II) dithiocarbamate complexes
  作者：Manoj K. Yadav、Gunjan Rajput、Ajit N. Gupta、Vinod Kumar、Michael G.B. Drew、Nanhai Singh

  DOI：10.1016/j.ica.2014.05.031

  日期：2014.9
• Discovery and optimization of novel dual dithiocarbamates as potent anticancer agents
  作者：Ri-Dong Li、Hui-Ling Wang、Ying-Bo Li、Zhong-Qing Wang、Xin Wang、Yi-Tao Wang、Ze-Mei Ge、Run-Tao Li

  DOI：10.1016/j.ejmech.2015.02.030

  日期：2015.3

  A series of dual dithiocarbamates were synthesized and evaluated for their in-vitro anticancer activities on human non-small cell lung cancer cell line H460. Nine compounds exhibited significant antiproliferative activities with IC50 less than I mu M. Among them, compound 14m showed the highest inhibitory activity against H460 cell and inhibited the growth of nine types of tumor cells with IC50 values less than 1 mu M. It also achieved IC50 of 54 nM and 23 nM against HepG2 and MCF-7 cell lines, respectively. Preliminary structure activity relationship study indicated that: a) when the methyl group (region A) is substituted with benzene rings, ortho substitution on the benzene ring is favored for activity; b) substitution with heterocyclic structures at region A exhibited greater impact on the anti-tumor activity of compounds, in which pyridine ring, thiazole ring, coumarin and benzo[b]thiophene are favored and quinoline ring is the most favored; c) substitution with different amines (region B) also showed marked effect on the activity of compounds and dimethylamine and morpholine are preferred to other tested amines. (C) 2015 Elsevier Masson SAS. All rights reserved.
• Synthesis and Antimicrobial Activities of Some 1-[(N, N-Disubstitutedthiocarbamoylthio)acetyl]-3,5-diaryl-2-pyrazolines
  作者：Gülhan Turan-Zitouni、Ahmet Özdemir、Zafer Asim Kaplancikli、Pierre Chevallet、Yagmur Tunali

  DOI：10.1080/104265090930452

  日期：2005.12

  The increasing clinical importance of drug-resistant fungal and bacterial pathogens has lent additional urgency to microbiological research and new antimicrobial compound development. For this put-pose, new pyrazoline derivatives were synthesized and evaluated for antimicrobial activity.Some 1-[(N,N-disubstitutedthiocarbamoylthio)acetyl]-3,5-dialyl-2-pyrazolines derivatives were synthesized by reacting 1-(chloroacetyl)-3,5-diaryl-2-pyrazolines with appropriate potassium salts of secondary amine dithiocarbamic acids. The chemical structures of the compounds were elucidated by IR, H-1-NMR, and FAB(+)-MS spectral data. Their antimicrobial activities against Staphylococcus aureus (B-767), Escherichia coli (B-3704), Pseudomonas aeruginosa (ATCC 27853), Proteus vulgaris (NRLL B-123), and Candida. albicans (NRRL-27077) were investigated. The results showed that some of the compounds have notable activity against S. aureus and C. albicans.