S-ethyl β-N-(benzylidene)dithiocarbazate | 26151-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: S-ethyl β-N-(benzylidene)dithiocarbazate
• 英文别名: S-ethyl-β-N-(benzylidene)dithiocarbazate；benzylidene-dithiocarbazic acid ethyl ester；Benzyliden-dithiocarbazidsaeure-aethylester；Ethyl 2-benzylidenehydrazine-1-carbodithioate；ethyl N-(benzylideneamino)carbamodithioate
• CAS: 26151-92-8
• 化学式: C₁₀H₁₂N₂S₂
• 分子量: 224.351
• InChiKey: QXGRKRQYEXZYOV-UHFFFAOYSA-N

物化性质

• 沸点：
  339.1±25.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  81.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-ethyl β-N-(benzylidene)dithiocarbazate 在 乙醇 、 三氯化铁 作用下， 生成 N',N'''-dibenzylidene-μ-disulfido-1,2-dithio-dicarbohydrazonic acid diethyl ester
  参考文献：
  名称：

  Sandstroem, Arkiv foer Kemi, 1952, vol. 4, p. 297,306

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyldithiocarbazate 、 苯甲醛 生成 S-ethyl β-N-(benzylidene)dithiocarbazate
  参考文献：
  名称：

  Sandstroem, Arkiv foer Kemi, 1952, vol. 4, p. 297,306

  摘要：

  DOI：

文献信息

• Reactions with Hydrazonoyl Halides 63: Synthesis and Anticancer Activity of Some New 1,3,4-Thiadiazoles, 1,3,4-Selenadiazoles, and 1,2,4-Triazolo[4,3-<i>a</i>]pyrimidines
  作者：Eman K. A. Abdelall、Mahmoud A. Mohamed、Abdou O. Abdelhamid

  DOI：10.1080/10426500903348013

  日期：2010.8.25

  4-selenadiazoles, and triazolino[4,3-a]pyrimidines containing benzoxazole or benzothiazole moieties were prepared from the reaction of each of ethyl 3-aza-3-(benzoxazol-2-ylamino)-2-chloroprop-2-enoate and ethyl 3-aza-3-(benzothiazolo-2-ylamino)-2-chloroprop-2-enoate with each of potassium thiocyanate, potassium selenocyanate, alkyl carbodithioate, and pyrmidine-2-thione derivatives. All the newly synthesized

  含有苯并恶唑或苯并噻唑部分的 2,3-二氢-1,3,4-噻二唑、2,3-二氢-1,3,4-硒二唑和三唑并[4,3-a]嘧啶是通过各自的反应制备的3-氮杂-3-(苯并恶唑-2-基氨基)-2-氯丙-2-烯酸乙酯和3-氮杂-3-(苯并噻唑-2-基氨基)-2-氯丙-2-烯酸乙酯与钾硫氰酸盐、硒氰酸钾、碳二硫代烷基酯和嘧啶-2-硫酮衍生物。所有新合成的化合物都通过元素分析、光谱数据和可能的替代路线合成进行了确认。一些新合成的化合物被筛选用于某些癌症肿瘤。补充材料可用于本文。转至出版商在线版的磷、硫和硅及相关元素，查看免费的补充文件。
• 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 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。
• Reactions with Hydrazonoyl Halides XXX: Synthesis of Some 2,3-Dihydro-1,3,4-Thiadiazoles and Unsymmetrical Azines Containing Benzothiazole Moiety
  作者：Abdou O. Abdelhamid、Nora M. Rateb、Kamal M. Dawood

  DOI：10.1080/10426500008082403

  日期：2000.1.1

  to give 2,3-dihydro-1,3,4-thiadiazoles in good yields. In contrast, hydrazonoyl bromides react with each of phenylthiourea (19a), phenylthiosemicarbazide (19b), and benzoylthiosemicarbazide (19c) afforded 5-arylazothiazole 22–24(a-c) derivatives, respectively. Structures of the new compounds were elucidated on the basis of elemental analyses, spectral data, and alternative methods of synthesis whenever

  摘要 C-苯并噻唑酰-N-芳基腙酰溴化物 1a,b 与 2-噻唑基氰基亚甲基碳二硫代甲酯 (2)、碳二硫代烷基酯 8-10 和硫代氨基甲酸甲酯 14a-c 在三乙胺存在下反应，得到 2,3 -二氢-1,3,4-噻二唑，收率良好。相比之下，腙酰溴分别与苯基硫脲 (19a)、苯基氨基硫脲 (19b) 和苯甲酰氨基脲 (19c) 反应，分别得到 5-芳基偶氮噻唑 22-24(ac) 衍生物。新化合物的结构是在元素分析、光谱数据和其他可能的合成方法的基础上阐明的。
• 1,3,4-Thia- and -selenadiazole and 1,2,4-triazolo[4,3-a]pyrimidine derivatives from hydrazonoyl halides
  作者：Nadia A. Abdel-Riheem、Nora M. Rateb、Ali A. Al-Atoom、Abdou O. Abdelhamid

  DOI：10.1002/hc.10156

  日期：——

  1,2,4-Triazolo[4,3-a]pyrimidines, thiadiazolines, selenadiazolines, and unsymmetrical azines were synthesized via reactions of a 4-isopropylbenzoyl bromide 4-nitrophenylhydrazone with each of potassium thiocyanate, potassium selenocyanate, ethyl 6-methyl-4-[4-(methylethyl)phenyl]-2-methylthio-3,4-dihydropyrimidine-5-carboxylate, and alkyl carbodithioate. © 2003 Wiley Periodicals, Inc. Heteroatom Chem

  1,2,4-三唑并[4,3-a]嘧啶、噻二唑啉、硒二唑啉和不对称吖嗪通过 4-异丙基苯甲酰溴 4-硝基苯腙与硫氰酸钾、硒氰酸钾、6-甲基乙基4-[4-(甲基乙基)苯基]-2-甲硫基-3,4-二氢嘧啶-5-羧酸酯和碳二硫代烷基酯。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:421–426, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10156