S-methylthiosemicarbazide hydrochloride | 22536-74-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: S-methylthiosemicarbazide hydrochloride
• 英文别名: Methylthiocarbazimidat-hydrochlorid；S-methylisothiosemicarbazide hydrochloride；3-methyl-isothiosemicarbazide; hydrochloride；methyl N'-aminocarbamimidothioate;hydrochloride
• CAS: 22536-74-9
• 化学式: C₂H₇N₃S*ClH
• mdl: MFCD22200766
• 分子量: 141.625
• InChiKey: ADSXHTNGGZYNKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.18
• 重原子数：
  7
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-methylthiosemicarbazide hydrochloride 、 2-(4-octoxyphenyl)-2-oxoacetaldehyde 生成 3-Methylsulfanyl-5-(4-octoxyphenyl)-1,2,4-triazine
  参考文献：
  名称：

  Synthesis and Electro-Optical Properties of Dihydrobenzofurans and Dihydrofuropyridines as Chiral Dopants for Ferroelectric Liquid Crystals

  摘要：

  合成了具有光学活性的二氢苯并呋喃和二氢呋喃吡啶，并证明它们是铁电液晶的良好手性掺杂剂。

  DOI：

  10.1246/cl.1995.537

文献信息

• Schuetz; Meyer; Kraetzer, Arzneimittel-Forschung/Drug Research, 1969, vol. 19, # 1, p. 69 - 75
  作者：Schuetz、Meyer、Kraetzer

  DOI：——

  日期：——
• A convenient synthesis of pyridine and 2,2′-bipyridine derivatives
  作者：Marta Altuna-Urquijo、Alexander Gehre、Stephen P. Stanforth、Brian Tarbit

  DOI：10.1016/j.tet.2008.11.090

  日期：2009.1

  alpha-Chloro-alpha-acetoxy-beta-keto-esters 9 were readily prepared from beta-keto-esters 6 in good overall yields. These compounds reacted as alpha,beta-diketo-ester equivalents 2 with amidrazones 1 yielding triazines 3, generally in good yields. Picolinates 10 provided an alternative source of alpha,beta-diketo-ester equivalents 2 when treated with copper(II) acetate. A 'one-pot' reaction of the alpha,beta-diketo-ester equivalents 2 with amidrazones 1 in the presence of 2,5-norbornadiene 5 in boiling ethanol yielded the pyridines 4 and 2,2'-bipyridines 4 (R-1=2-pyridyl) directly without the need to isolate the corresponding triazines 3. Triazine 3c reacted with the aza-dienophiles 13 and 17 affording the products 16 and 18, respectively, in good yields. (C) 2008 Elsevier Ltd. All rights reserved.
• Beitr�ge zur Entwicklung psychotroper Stoffe, 3. Mitt.: Diphenylamin-Derivate mit pyridyl- und guanidyl-substituierten Seitenketten
  作者：M. Thiel、K. Stach

  DOI：10.1007/bf00905908

  日期：——
• Gerbeleu, N. V.; Revenko, M. D.; Bourosh, P. N., Koordinatsionnaya Khimiya, 1987, vol. 13, p. 213 - 219
  作者：Gerbeleu, N. V.、Revenko, M. D.、Bourosh, P. N.、Simonov, Yu. A.、Bel'skii, V. K.、Shova, S. G.

  DOI：——

  日期：——
• HUANG, J. J., J. ORG. CHEM., 1985, 50, N 13, 2293-2298
  作者：HUANG, J. J.

  DOI：——

  日期：——