3-Hexylthiophene-2-carbothioamide | 1352878-76-2

• 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: 3-Hexylthiophene-2-carbothioamide
• 英文别名: 3-hexylthiophene-2-carbothioamide
• CAS: 1352878-76-2
• 化学式: C₁₁H₁₇NS₂
• 分子量: 227.395
• InChiKey: HPKSYRLROUTEAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  86.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-溴辛-2-酮 、 3-Hexylthiophene-2-carbothioamide 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 以89%的产率得到4-hexyl-2-(3-hexylthiophen-2-yl)-1,3-thiazole
  参考文献：
  名称：

  Synthesis and Electro-Optical Properties of Fluorene-Based Copolymer for Organic Photovoltaic Device Application

  摘要：

  The following soluble pi-conjugated polymer was synthesized by palladium-catalyzed Suzuki polymerization: poly[(9,9-dioctylfluorene)-alt-(3-hexylthiophen-5-yl)(4'-hexylthiazol-5'-yl)] poly(FO-HThHTha) derived from poly(9,9-dioctylfluorene) (PFO) and poly[(3-hexylthiophen-5-yl)-2,2'-(4'-hexylthiazol-5'-yl)] poly (HThHTa). The polymer, poly(FO-HThHTa) was soluble in common organic solvents and easily spin coated onto indium-tin oxide (ITO) coated glass substrates. Bulk heterojunction photovoltaic cells with an ITO/PEDOT/poly(FO-HThHTa): PC70BM/TiOx/Al configuration were fabricated and the photovoltaic cell using poly(FO-HThHTa): PC70BM (1: 4) showed the best photovoltaic performance compared with those using poly(FO-HThHTa): PC70BM (1: 2 and 1: 6). The optimal bulk heterojunction photovoltaic cell exhibits a power conversion efficiency (PCE) of 0.39% (V-oc = 0.44 V, J(sc) = 2.57, FF = 0.34) with poly(FO-HThHTa): PC70BM (1: 4) measured by using an AM 1.5G irradiation (100mW/cm(2)) on an Oriel Xenon solar simulator (Oriel 300 W).

  DOI：

  10.1080/15421406.2011.564076
• 作为产物：
  描述：

  2-溴-3-己基噻吩 在 二硫代磷酸二乙酯 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 44.0h， 生成 3-Hexylthiophene-2-carbothioamide
  参考文献：
  名称：

  Synthesis and Electro-Optical Properties of Fluorene-Based Copolymer for Organic Photovoltaic Device Application

  摘要：

  The following soluble pi-conjugated polymer was synthesized by palladium-catalyzed Suzuki polymerization: poly[(9,9-dioctylfluorene)-alt-(3-hexylthiophen-5-yl)(4'-hexylthiazol-5'-yl)] poly(FO-HThHTha) derived from poly(9,9-dioctylfluorene) (PFO) and poly[(3-hexylthiophen-5-yl)-2,2'-(4'-hexylthiazol-5'-yl)] poly (HThHTa). The polymer, poly(FO-HThHTa) was soluble in common organic solvents and easily spin coated onto indium-tin oxide (ITO) coated glass substrates. Bulk heterojunction photovoltaic cells with an ITO/PEDOT/poly(FO-HThHTa): PC70BM/TiOx/Al configuration were fabricated and the photovoltaic cell using poly(FO-HThHTa): PC70BM (1: 4) showed the best photovoltaic performance compared with those using poly(FO-HThHTa): PC70BM (1: 2 and 1: 6). The optimal bulk heterojunction photovoltaic cell exhibits a power conversion efficiency (PCE) of 0.39% (V-oc = 0.44 V, J(sc) = 2.57, FF = 0.34) with poly(FO-HThHTa): PC70BM (1: 4) measured by using an AM 1.5G irradiation (100mW/cm(2)) on an Oriel Xenon solar simulator (Oriel 300 W).

  DOI：

  10.1080/15421406.2011.564076

文献信息

• OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES
  申请人：Heraeus Precious Metals GmbH & Co. KG

  公开号：EP2417177A1

  公开（公告）日：2012-02-15
• [EN] OLIGOMERIC AND POLYMERIC SEMICONDUCTORS BASED ON THIENOTHIAZOLES<br/>[FR] SEMI-CONDUCTEURS OLIGOMÈRES ET POLYMÈRES À BASE DE THIÉNOTHIAZOLES
  申请人：STRACK H C CLEVIOS GMBH

  公开号：WO2010115623A1

  公开（公告）日：2010-10-14

  The invention relates to novel organic semiconducting compounds containing thienothiazole units, the preparation thereof and their use in electronic components.
• Synthesis and Electro-Optical Properties of Fluorene-Based Copolymer for Organic Photovoltaic Device Application
  作者：Jang Soo Kim、Myungkwan Song、Jin Su Park、Mikyoung Yoon、Hoe Won Yoon、Ae Jin Kim、Jae Wook Lee、Yeong-Soon Gal、Sung-Ho Jin

  DOI：10.1080/15421406.2011.564076

  日期：2011.5.31

  The following soluble pi-conjugated polymer was synthesized by palladium-catalyzed Suzuki polymerization: poly[(9,9-dioctylfluorene)-alt-(3-hexylthiophen-5-yl)(4'-hexylthiazol-5'-yl)] poly(FO-HThHTha) derived from poly(9,9-dioctylfluorene) (PFO) and poly[(3-hexylthiophen-5-yl)-2,2'-(4'-hexylthiazol-5'-yl)] poly (HThHTa). The polymer, poly(FO-HThHTa) was soluble in common organic solvents and easily spin coated onto indium-tin oxide (ITO) coated glass substrates. Bulk heterojunction photovoltaic cells with an ITO/PEDOT/poly(FO-HThHTa): PC70BM/TiOx/Al configuration were fabricated and the photovoltaic cell using poly(FO-HThHTa): PC70BM (1: 4) showed the best photovoltaic performance compared with those using poly(FO-HThHTa): PC70BM (1: 2 and 1: 6). The optimal bulk heterojunction photovoltaic cell exhibits a power conversion efficiency (PCE) of 0.39% (V-oc = 0.44 V, J(sc) = 2.57, FF = 0.34) with poly(FO-HThHTa): PC70BM (1: 4) measured by using an AM 1.5G irradiation (100mW/cm(2)) on an Oriel Xenon solar simulator (Oriel 300 W).