thiophene-2-carbaldehyde-N-ethylthiosemicarbazone | 1434-97-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: thiophene-2-carbaldehyde-N-ethylthiosemicarbazone
• 英文别名: thiopehene-2-carbaldehyde-N-ethylthiosemicarbazone；Thiophen-2-carbaldehyd-(4-ethyl-thiosemicarbazon)；thiophene-2-carbaldehyde-N1-ethyl thiosemicarbazone；1-Ethyl-3-(thiophen-2-ylmethylideneamino)thiourea
• CAS: 1434-97-5
• 化学式: C₈H₁₁N₃S₂
• 分子量: 213.327
• InChiKey: ZAHRLVBYQPAUMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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：
  96.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  bis(triphenylphosphine)copper(I) acetate 、 thiophene-2-carbaldehyde-N-ethylthiosemicarbazone 以 甲醇 为溶剂， 以70%的产率得到[Cu(κ¹N³,κ¹S-ttscN-Et)(PPh₃)₂]
  参考文献：
  名称：

  Synthesis, structure and spectroscopy of mono- and di-nuclear copper(I) complexes incorporating anionic thiophene based thiosemicarbazones-first examples

  摘要：

  DOI：

  10.1016/j.poly.2014.01.002
• 作为产物：
  描述：

  2-噻吩甲醛 、 4-乙基-3-硫代氨基脲 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以92.2%的产率得到thiophene-2-carbaldehyde-N-ethylthiosemicarbazone
  参考文献：
  名称：

  含噻吩-2-甲醛缩氨基硫脲的单核、双核和多核卤化铋 (III) 配合物的合成、表征和生物学特性

  摘要：

  为了研究铋化合物的配位化学和药理应用，合成了一系列新的卤化铋(III)缩氨基硫脲络合物。thiophene-2-carbaldehyde-N-取代的缩氨基硫脲与卤化铋 (III) 的反应导致形成 {[[BiCl 2 (η 1 -S-Httsc) 4 ] + .Cl − ][BiCl 2 (μ 2 -Cl)(η 1 -S-Httsc) 2 ] 2 } ( 1 ), {[BiCl 3 (η 1 -S-Htmtsc) 3 ].CH 3 OH} ( 2 ), {[BiCl3 (η 1 -S-Httsc) 3 ].CH 3 OH} ( 3 ), {[BiBr 2 (μ 2 -Br)(η 1 -S-Httsc) 2 ] 2 .CH 3 OH} ( 4 ), {[BiBr 2 (μ 2 -Br)(η 1 -S-Htmtsc) 2 ] n } ( 5 ), 和 {[BiI 2 (μ 2 -I)(η 1 -S-Httsc)

  DOI：

  10.1016/j.jinorgbio.2022.111987

文献信息

• The influence of substituents (R) at N1 atom of thiophene-2-carbaldehyde thiosemicarbazones {(C4H3S)HC2N3–N(H)–C1(S)N1HR} on bonding, nuclearity and H-bonded networks of copper(I) complexes
  作者：Tarlok Singh Lobana、Rekha Sharma、Alfonso Castineiras、Geeta Hundal、Ray Jay Butcher

  DOI：10.1016/j.ica.2009.03.043

  日期：2009.8

  The nuclearity, bonding and H-bonded networks of copper(I) halide complexes with thiophene-2-carbaldehyde thiosemicarbazones (C4H3S)HC2=N-3-N(H)-C-1(=S)(NHR)-H-1} are influenced by R substituents at N-1 atom. Thiophene-2-carbaldehyde-N-1-methyl thiosemicarbazone (HttscMe) or thiophene-2-carbaldehyde-N-1-ethyl thiosemicarbazone (HttscEt) have yielded halogen-bridged dinuclear complexes, [Cu-2(mu-X)(2)(eta(1)-S-Htsc)(2)(Ph3P)(2)] (Htsc, X: HttscMe, I, 1; Br, 2; Cl, 3; HttscEt, I, 4; Br, 5; Cl, 6), while thiophene-2-carbaldehyde-N-1-phenyl thiosemicarbazone (HttscPh) has yielded mononuclear complexes, [CuX(eta(1)-S-HttscPh)(2)] (X, I, 7a; Br 8; Cl, 9) and a sulfur bridged dinuclear complex, [Cu-2(mu-S-HttscPh)(2)(eta(1)-S-HttscPh)(2)I-2] 7b co-existing with 7a in the same unit cell. These results are in contrast to S-bridged dimers [Cu-2(mu-S-Httsc)(2)(eta(1)-Br)(2)(Ph3P)(2)] center dot 2H(2)O and [Cu-2(mu-S-Httsc)(2)(eta(1)-Cl)(2)(Ph3P)(2)] center dot 2CH(3)CN obtained for R = H and X = Cl, Br (Httsc = thiophene-2-carbaldehyde thiosemicarbazone) as reported earlier. The intermolecular CHPh center dot center dot center dot pi interaction in 1-3 (2.797 angstrom, 1; 3.264 angstrom, 2; 3.257 angstrom, 3) have formed linear polymers, whereas the CHPh center dot center dot center dot X and N-3 center dot center dot center dot HCH interactions in 4-6 (2.791, 2.69 angstrom, 5; 2.776, 2.745 angstrom, 6, respectively) have led to the formation of H-bonded 2D polymer. The (PhNH)-H-1 center dot center dot center dot pi, interactions (2.547 angstrom, 8, 2.599 angstrom, 9) have formed H-bonded dimers only. The Cu center dot center dot center dot Cu separations are 3.221-3.404 angstrom (1-6). (C) 2009 Published by Elsevier B.V.