S-methyl-β-N-(thien-2-ylethylidene)dithiocarbazate | 60273-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: S-methyl-β-N-(thien-2-ylethylidene)dithiocarbazate
• 英文别名: methyl N-(1-thiophen-2-ylethylideneamino)carbamodithioate
• CAS: 60273-81-6
• 化学式: C₈H₁₀N₂S₃
• 分子量: 230.379
• InChiKey: RELVETABMLPGIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  RuH₂(CO)(PPh₃)₃ 、 S-methyl-β-N-(thien-2-ylethylidene)dithiocarbazate 以 苯 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Maurya; Unny; Alekar, Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1997, vol. 36, # 12, p. 1058 - 1062

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙酰基噻吩 、 肼基二硫代甲酸甲酯 以 异丙醇 为溶剂， 生成 S-methyl-β-N-(thien-2-ylethylidene)dithiocarbazate
  参考文献：
  名称：

  Synthesis and anticancer activity of thiosemicarbazones

  摘要：

  Twenty-six thiosemincarbazones (III-1-III-26) were synthesized via three steps starting from hydrazine hydrate and carbon disulfide. The testing of anticancer activity of these compounds in vitro against P-388, A-549, and SGC-7901 shows that compounds III-15 and III-16 possess a higher inhibitory ability for P-388 and SGC-7901. Further testing shows that the value of IC50 of compound III-16 against SGC-7901 reaches to 0.032 mu M. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.01.048

文献信息

• Reaction with Hydrazonoyl Halides 64: Synthesis of Some New Triazolino[4,3-<i>a</i>]pyrimidines, 1,3,4-Thiadiazoles, and 5-Arylazothiazoles
  作者：Abdou O. Abdelhamid、Abdelgawad A. Fahmi、Basma S. Baaui

  DOI：10.1002/jhet.945

  日期：2012.9

  benzofuran moiety were prepared from the reaction of 2‐(2‐phenylhydrazono)‐1‐(5‐bromobenzofuran‐2‐yl)‐2‐chloroethanone with each of potassium thiocyanate, potassium selenocyanate, alkyl carbodithioate, and pyrmidine‐2‐thione derivatives. All the newly synthesized compounds were confirmed by elemental analysis, spectral data, and alternative route synthesis whenever possible.

  由2-（-）的反应制得2,3-二氢-1,3,4-噻二唑，2,3-二氢-1,3,4-硒代二唑和含苯并呋喃部分的三唑啉并[4,3- a ]嘧啶。 2-苯基肼基）-1-（5-溴苯并呋喃-2-基）-2-氯乙酮与硫氰酸钾，硒氰酸钾，碳二硫代烷基酯和嘧啶-2-硫酮衍生物中的每一种。所有新合成的化合物均通过元素分析，光谱数据和可能的替代路线合成得到确认。
• Reactions of Hydrazonoyl Halides 56¹: Synthesis and Reactions of 1-Bromo-2-(5-chloro-benzofuranyl)ethanedione-1-phenylhydrazone
  作者：Abdou O. Abdelhamid、Ahmed H El-Ghandour、Ahmed A.M. El-Reedy

  DOI：10.1080/10426500701640876

  日期：2008.4.18

  2,3-Dihydro-1,3,4-thiadiazoles and triazolino[4,3-a]pyrimidines containing benzofuran moiety were prepared from reaction of 1-bromo-2-(5-chlorobenzofuranyl) ethanedione-1-phenylhydrazone with each of potassium thiocyanate, alkyl carbodithioates and pyrmidine-2-thiones. All newly synthesized were confirmed by elemental analysis, spectral data, and alternative route synthesis whenever possible.

  含有苯并呋喃部分的 2,3-二氢-1,3,4-噻二唑和三唑并[4,3-a]嘧啶是由 1-溴-2-(5-氯苯并呋喃基)乙二酮-1-苯腙与每一种反应制备的硫氰酸钾、烷基碳二硫代酸酯和嘧啶-2-硫酮。所有新合成的都尽可能通过元素分析、光谱数据和替代路线合成进行确认。
• Reactions with Hydrazonoyl Halides 42¹: Synthesis of Some New 2,3-Dihydro-1,3,4thiadiazoles, 2,3-Dihydro-1,3,4-selenadiazoles and Triazolino[, ]pyrimidines
  作者：Abdou O. Abdelhamid、Mohamed A. M. Alkhodshi

  DOI：10.1080/104265090508091

  日期：2005.1.1

  Abstract 2,3-Dihydro-1,3,4-thiadiazoles, 2,3-dihydro-1,3,4-selenadiazoles, unsymmetrical azines and triazolino[ [4] , [3] ]pyrimidines were prepared from reaction of (2Z)-3-aza-2-bromo-1-naphto[ [1] , [2] ]furan-2-yl-3-(phenylamino)prop-2-en-1-one (6) with each of potassium thiocyanate, potassium selenocyanate, alkyl carbodithioate, ethyl 6-methyl-2-methylthio-4-substituted 3,4-dihydropyrimidine-5-carboxylate

  摘要 2,3-二氢-1,3,4-噻二唑类、2,3-二氢-1,3,4-硒二唑类、不对称吖嗪类和三唑并[[4]、[3]]嘧啶类化合物由(2Z )-3-aza-2-bromo-1-naphto[[1], [2]]furan-2-yl-3-(phenylamino)prop-2-en-1-one (6) 与每个硫氰酸钾、硒氰酸钾、碳二硫代烷基酯、6-甲基-2-甲硫基-4-取代的3,4-二氢嘧啶-5-羧酸乙酯或（4-甲基-6-取代的2-硫酮-1,3,6-三氢嘧啶- 5-羧酸盐）。所有化合物都尽可能根据元素分析、光谱数据和替代合成方法进行阐明。
• REACTIONS WITH HYDRAZONOYL HALIDES XXIV^[1]: SYNTHESIS OF SOME NEW UNSYMMETRICAL AZINES AND DIHYDRO-1,3,4-THIADIAZOLES
  作者：Abdou O. Abdelhamid、Gaber S. Mohamed

  DOI：10.1080/10426509908031623

  日期：1999.9.1

  Abstract Unsymmetrical azines were synthesized from reaction of C-coumarinoyl-N-arylformohydrazonoyl bromide with different alkyl carbodithioates. In addition, reactions of hydrazonoyl halides with thioanilide and methyl dithioates were studied. The structures of newly synthesized compounds were confirmed by elemental analyses, spectroscopic tools, and alternative syntheses whenever possible.

  摘要 C-香豆素酰-N-芳基甲腙酰溴与不同的碳二硫代烷基酯反应合成了不对称吖嗪。此外，还研究了腙酰卤与硫代苯胺和二硫代甲酯的反应。新合成化合物的结构通过元素分析、光谱工具和替代合成尽可能得到确认。
• Convenient synthesis and antibacterial activity of novel 5-phenyldiazenyl-1,3,4-thiadiazole derivatives
  作者：Fatma M. Saleh、Mirna T. Helmy、Hamdi M. Hassaneen

  DOI：10.1080/10426507.2020.1858081

  日期：2021.5.4

  presence of triethylamine afforded the corresponding 1,3,4-thiadiazole derivatives 10, 11, 13, 14 and 22–29. Stirring of N,2-diaryldiazene-1-carbohydrazonoyl chlorides 1–3 with thioanilides 31A–E in acetonitrile at room temperature in the presence of triethylamine gave the corresponding 1,3,4-thiadiazol-2(3H)-ylidene derivatives 34–36. The structures of all new compounds 10, 11, 13, 14, 22–29 and 34–36

  摘要 的反应Ñ，2- diaryldiazene -1- carbohydrazonoyl氯化物1,2与2 - （（甲硫基）-carbonthioyl）腙7,12和18-21的无水乙醇在三乙胺，得到存在室温下相应的1,3- ，4-噻二唑衍生物10，11，13，14和22-29。在室温下，在三乙胺存在下，在乙腈中用硫代苯胺31A-E搅拌N，2-二芳基二氮杂-1-碳酰重氮酰氯1-3，得到相应的1,3,4-噻二唑-2（3 H）-亚烷基衍生物34 –36。所有新化合物的结构通过元素分析和光谱数据确定了10、11、13、14、22-29和34-36。研究了一些针对金黄色葡萄球菌和大肠杆菌的新合成化合物，最有效的化合物是3-苯基-5-（苯基二氮烯基）-2-（（1-（吡啶-2-基）亚乙基）hydr基）-2,3-二氢-1,3,4-噻二唑（13c），2-（（1-（吡啶-2-基）亚乙基）肼基）-3-（对甲苯基）-5-（对甲苯二重氮基）-2