8-(2-thienyl)octylisothiocyanate | 288323-35-3

• 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: 8-(2-thienyl)octylisothiocyanate
• 英文别名: 2-(8-Isothiocyanatooctyl)thiophene
• CAS: 288323-35-3
• 化学式: C₁₃H₁₉NS₂
• 分子量: 253.433
• InChiKey: UJHDHEPUEPZBFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• US6166003A
  申请人：——

  公开号：US6166003A

  公开（公告）日：2000-12-26
• [EN] ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS<br/>[FR] ISOTHIO CYANATO ALKYLTHIOPHENES UTILISES COMME AGENTS CHIMIOPROTECTEURS CONTRE LE CANCER
  申请人：LKT LAB INC

  公开号：WO2000049013A1

  公开（公告）日：2000-08-24

  A compound comprising a heterocyclic moiety, such as a thiophene, covalently attached to an alkylene isothiocyanate moiety. The compound is effective to prevent the occurrence or progression of cancer or a precancerous condition, and can be used for therapeutic or prophylactic purposes. The compound can be provided and administered in the form of a pharmaceutical composition, a cosmetic, a food additive, supplement, or the like. Methods for synthesis and use of the chemopreventive compound of the invention are also provided.