3-chloro-N-[(4-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide | 642958-48-3

• 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: 3-chloro-N-[(4-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide
• 英文别名: 1-(3-Chloro-benzo(B)thiophene-2-carbonyl)-3-(4-nitro-phenyl)-thiourea；3-chloro-N-[(4-nitrophenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
• CAS: 642958-48-3
• 化学式: C₁₆H₁₀ClN₃O₃S₂
• 分子量: 391.859
• InChiKey: BOZUZZFYEZILJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  丙二酸 、 3-chloro-N-[(4-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide 以 乙酰氯 为溶剂， 反应 4.0h， 以90%的产率得到1-(3-chlorobenzo[b]thiophene-2-carbonyl)-3-(4-nitrophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
  参考文献：
  名称：

  Tirlapur, Vijay Kumar; Ohawan, Aditya, Indian Journal of Heterocyclic Chemistry, 2010, vol. 20, # 2, p. 141 - 144

  摘要：

  DOI：
• 作为产物：
  描述：

  肉桂酸 在 吡啶 、 氯化亚砜 作用下， 以 氯苯 、 丙酮 为溶剂， 反应 2.0h， 生成 3-chloro-N-[(4-nitrophenyl)carbamothioyl]benzothiophene-2-carboxamide
  参考文献：
  名称：

  Tirlapur, Vijay Kumar; Ohawan, Aditya, Indian Journal of Heterocyclic Chemistry, 2010, vol. 20, # 2, p. 141 - 144

  摘要：

  DOI：

文献信息

• Utility of 3-Chlorobenzothiophene-2-Carbonylisothiocyanate for the Synthesis of Some Novel Biheterocycles of Expected Biological Activity
  作者：Gadada Naganagowda、Basavaraj Padmashali

  DOI：10.1080/10426500903055196

  日期：2010.6.30

  the newly synthesized compounds were elucidated on the basis of IR, 1H NMR, and mass spectral data of the compounds, and they have been screened for antimicrobial, analgesic, and anti-inflammatory activities. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.

  3-氯苯并噻吩-2-羰基异硫氰酸酯2对含氮亲核试剂如伯胺、取代肼、芳基肼、甘氨酸、邻氨基苯甲酸的行为；硫亲核试剂如巯基乙酸；和氧亲核试剂如取代酚已被研究，发现它通过异硫氰酸酯杂环化进行，以提供除苯并[b]噻吩核外还含有硫脲、三唑、恶唑、噻唑和苯并恶唑核的非稠合杂环化合物。根据化合物的红外、1H 核磁共振和质谱数据阐明了新合成化合物的结构，并筛选了它们的抗菌、镇痛和抗炎活性。补充材料可用于本文。去出版商'
• Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems
  申请人：Utterodt Andreas

  公开号：US20070040151A1

  公开（公告）日：2007-02-22

  A two-component initiator system having accelerators for curing polymerizable materials comprising the following components: (a) a hydroperoxide compound containing one or more hydroperoxide groups that are bound to a tertiary carbon; (b) a thiourea derivative; and (c) as accelerator, a copper compound which is soluble in the preparation is preferably free of amine and is particularly suited for polymerizable dental compositions.