2,2-Dimethyl-thiobutyric acid S-(1,1-dimethyl-propyl) ester | 63528-34-7

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: 2,2-Dimethyl-thiobutyric acid S-(1,1-dimethyl-propyl) ester
• 英文别名: S-(2-methylbutan-2-yl) 2,2-dimethylbutanethioate
• CAS: 63528-34-7
• 化学式: C₁₁H₂₂OS
• 分子量: 202.361
• InChiKey: UREYNYGNWHZRGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20170174994A1

  公开（公告）日：2017-06-22

  A compound and a liquid-crystal composition employing the same are provided. The compound has a structure represented by Formula (I) wherein Z a and Z b are independently A 1 , A 2 , A 3 , and A 4 are independently Z 1 , Z 2 , Z 3 , and Z 4 are independently single bond, R is independently hydrogen, or C 1-4 alkyl group; R 1 and R 2 are independently —O—(CH 2 ) n —, —CH═CH—(CH 2 ) 2 —, —(CH 2 ) 2 —CH═CH—, —CH═CH—, or —C≡C—; n is an integer from 1 to 6; B 1 and B 2 are independently and, R 3 is hydrogen, or methyl group.
• COMPOUND AND LIQUID-CRYSTAL COMPOSITION EMPLOYING THE SAME
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：US20170174995A1

  公开（公告）日：2017-06-22

  A compound and a liquid-crystal composition employing the same are provided. The compound has a structure represented by Formula (I) wherein Z a and Z b are independently A 1 , A 2 , A 3 and A 4 are independently single bond, Z 1 , Z 2 , Z 3 , and Z 4 are independently single bond, R is independently hydrogen, or C 1-4 alkyl group; R 1 and R 2 are independently single bond, —O—(CH 2 ) n —, —CH═CH—(CH 2 ) 2 —, —(CH 2 ) 2 —CH═CH—, —CH═CH—, or —C≡C—; n is an integer from 1 to 6; B 1 and B 2 are independently and, R 3 is hydrogen, or methyl group.