O-ethyl 2-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]ethylsulfanylmethanethioate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: O-ethyl 2-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]ethylsulfanylmethanethioate
• 化学式: C25H31N2OS2+
• 分子量: 439.7
• InChiKey: PWXLTEVGXIRWBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• THIOL DYES
  申请人：Eliu Victor Paul

  公开号：US20090113639A1

  公开（公告）日：2009-05-07

  Disclosed are thiol dyes of formula (1), wherein R 1 is hydrogen; C 1 -C 12 alkyl; or phenyl-C 1 -C 4 alkyl; X is C 1 -C 12 alkylene; C 2 -C 12 alkenylene; C 5 -C 10 cycloalkylene; C 5 -C 10 arylene; or C 5 -C 10 arylene-C 1 -C 10 alkylene; Y is the residue of an organic dye which corresponds to the formula (1a), wherein R 2 is hydrogen; or C 1 -C 5 alkyl; R 3 is a radical of formula (1a 1 ): (1a 2 ); or (1a 3 ); or R 2 and R 3 together with the linking carbon atom 1 C form a 6 to 10 membered carbocyclic ring which may optionally be a condensated aromatic system and may contain one or more than one hetero atom; and R 4 , R 5 and R 6 independently form each other are hydrogen, or C 1 -C 5 alkyl; Z is H; or a thio ester group of formula (1b), wherein A is O; S; or N—R9; B is —OR7; —NR7R8, or —SR7; and A is O; S; or N—R 9 ; B is —OR 7 ; —NR 7 R 8 , or —SR 7 ; and R 7 , R 8 and R 9 , independently from each other are hydrogen; C 1 -C 12 alkyl C 6 -C 12 aryl; or C 6 -C 12 aryl-C 1 -C 12 alkyl. The compounds are useful for the dyeing of organic materials, such as keratin fibers, preferably human hair.

  揭示了式（1）的硫醇染料，其中R1为氢；C1-C12烷基；或苯基-C1-C4烷基；X为C1-C12亚烷基；C2-C12烯亚烷基；C5-C10环烷基；C5-C10芳基；或C5-C10芳基-C1-C10亚烷基；Y为与式（1a）对应的有机染料的残基，其中R2为氢；或C1-C5烷基；R3为式（1a1）的基团：（1a2）；或（1a3）；或R2和R3与连接碳原子1C形成6至10成员的碳环，该碳环可以选择性地是一个缩合芳香系统，并且可以含有一个或多个杂原子；以及R4，R5和R6独立地形成彼此为氢，或C1-C5烷基；Z为H；或式（1b）的硫酯基团，其中A为O；S；或N—R9；B为—OR7；—NR7R8，或—SR7；而A为O；S；或N—R9；B为—OR7；—NR7R8，或—SR7；且R7，R8和R9，彼此独立地为氢；C1-C12烷基；C6-C12芳基；或C6-C12芳基-C1-C12烷基。这些化合物适用于有机材料的染色，例如角蛋白纤维，最好是人类头发。
• Mixture of Sulfide Dyes
  申请人：Cremer Christian

  公开号：US20090100610A1

  公开（公告）日：2009-04-23

  Disclosed are mixtures of sulfide dyes and dyeing compositions comprising mixtures of sulfide dyes. The dye mixtures are useful for the dyeing of organic materials, such as keratin fibers, preferably human hair.

  揭示了含有硫化染料混合物和含有硫化染料混合物的染料组合物。这些染料混合物适用于有机材料的染色，例如角蛋白纤维，最好是人类头发。
• US7563289B2
  申请人：——

  公开号：US7563289B2

  公开（公告）日：2009-07-21
• US7828858B2
  申请人：——

  公开号：US7828858B2

  公开（公告）日：2010-11-09
• [EN] THIOL DYES<br/>[FR] COLORANTS THIOL
  申请人：CIBA SC HOLDING AG

  公开号：WO2007039527A2

  公开（公告）日：2007-04-12

  [EN] Disclosed are thiol dyes of formula (1), wherein R₁ is hydrogen; C₁-C₁₂alkyl; or phenyl-C₁-C₄alkyl; X is C₁-C₁₂alkylene; C₂-C₁₂alkenylene; C₅-C₁₀cycloalkylene; C₅-C₁₀arylene; or C₅-C₁₀arylene- C₁-C₁₀alkylene; Y is the residue of an organic dye which corresponds to the formula (1a), wherein R₂ is hydrogen; or C₁-C₅alkyl; R₃ is a radical of formula (1a₁) : (1a₂); or (1a₃) ; or R₂ and R₃ together with the linking carbon atom ¹C form a 6 to 10 membered carbocyclic ring which may optionally be a condensated aromatic system and may contain one or more than one hetero atom; and R₄, R₅ and R₆ independently form each other are hydrogen, or C₁-C₅alkyl; Z is H; or a thio ester group of formula (1b), wherein A is O; S; or N-R9; B is -OR7; -NR7R8, or -SR7; and A is O; S; or N-R₉; B is -OR₇; -NR₇R₈, or -SR₇; and R₇, R₈ and R₉, independently from each other are hydrogen; C₁-C₁₂alkyl C₆-C₁₂aryl; or C₆-C₁₂aryl- C₁-C₁₂alkyl. The compounds are useful for the dyeing of organic materials, such as keratin fibers, preferably human hair.
  [FR] Colorants thiol de formule (1) dans laquelle R₁ représente hydrogène, C₁-C₁₂alkyle ou phényle-C₁-C₄alkyle; X représente C₁-C₁₂alkylène, C₂-C₁₂alcénylène, C₅-C₁₀cycloalkylène, C₅-C₁₀arylène ou C₅-C₁₀arylène-C₁-C₁₀alkylène; Y représente le reste d'un colorant organique qui correspond à la formule (1a) dans laquelle R₂ représente hydrogène ou C₁-C₅alkyle; R₃ représente un radical de formule (1a₁), (1a₂) ou (1a₃); ou R₂ et R₃ forment avec l'atome de carbone de liaison¹C un noyau carbocyclique à 6-10 éléments qui peut éventuellement être un système aromatique condensé et qui peut contenir un ou plusieurs hétéroatomes; et R₄, R₅ et R₆ représentent indépendamment l'un de l'autre hydrogène ou C₁-C₅alkyle; Z représente H ou un groupe thioester de formule (1b) dans laquelle A représente O, S ou N-R₉; B représente -OR₇, -NR₇R₈ ou -SR₇; et R₇, R₈ et R₉ représentent indépendamment l'un de l'autre hydrogène, C₁-C₁₂alkyle, C₆-C₁₂aryle ou C₆-C₁₂aryle-C₁-C₁₂alkyle. Lesdits composés sont utiles pour la coloration de matières organiques, telles que des fibres de kératine, de préférence des cheveux humains.