3-ethyl-2-ethylsulfanyl-benzothiazolium; toluene-4-sulfonate | 5231-22-1

• 物质功能分类: 化学试剂 - 有机试剂
• 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-ethyl-2-ethylsulfanyl-benzothiazolium; toluene-4-sulfonate
• 英文别名: 3-Aethyl-2-aethylmercapto-benzothiazolium; Toluol-4-sulfonat；2-ethylthio-3-ethylbenzothiazolium tosylate；3-ethyl-2-(ethylthio)-2(3H)-benzothiazolium 4-methylbenzenesulfonate powder；3-Ethyl-2-(ethylsulfanyl)-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate；3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium;4-methylbenzenesulfonate
• CAS: 5231-22-1
• 化学式: C₇H₇O₃S*C₁₁H₁₄NS₂
• 分子量: 395.568
• InChiKey: KGWPDEXNWSCONX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  123
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-ethyl-2-ethylsulfanyl-benzothiazolium; toluene-4-sulfonate 、 2-(2-chloro-propenyl)-3-ethyl-benzothiazolium; chloride 在 三乙胺 作用下， 生成 3.3'-Diaethyl-9-aethylmercapto-thiacarbocyanin Perchlorat
  参考文献：
  名称：

  Lewkoew,I.I. et al., Doklady Chemistry, 1963, vol. 153, p. 919 - 922

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙基-1,3-苯并噻唑-2-硫酮 、 对甲苯磺酸乙酯 生成 3-ethyl-2-ethylsulfanyl-benzothiazolium; toluene-4-sulfonate
  参考文献：
  名称：

  375.热量对含有烷硫基的杂环碱基的作用。第一部分.2-烷基硫代苯并噻唑和2-烷基硫代-苯并恶唑

  摘要：

  DOI：

  10.1039/jr9510001723

文献信息

• Synthesis and some properties of dyes containing the pyrano[2,3-d]-pyrimidine nucleus
  作者：Joseph Bailey、John A. Elvidge

  DOI：10.1039/p19730000823

  日期：——

  The condensation of 1,3-dialkylbarbituric acids with ethyl orthoacetate gives 7H-pyrano[2,3-d]pyrimidines. The structures of these dyes were confirmed by their reactions. The preparation and light absorptions of several non-ionic trinuclear dyes containing the pyrano[2,3-d]pyrimidine nucleus are discussed.

  1，3-二烷基巴比妥酸与原乙酸乙酯的缩合得到7 H-吡喃并[2，3- d ]嘧啶。这些染料的结构通过它们的反应得以证实。讨论了几种含有吡喃并[2,3- d ]嘧啶核的非离子型三核染料的制备和吸光度。
• Structure of rhodanine cyanine dyes, spectroscopy and performance in photographic emulsions
  作者：Zheng-Hong Peng、Xiang-Feng Zhou、Suzanne Carroll、Herman J. Geise、Bi-xian Peng、Roger Dommisse、Eddy Esmans、Robert Carleer

  DOI：10.1039/jm9960601325

  日期：——

  The synthesis is reported of eight pyridine–, benzothiazole– and benzimidazole–rhodanine zeromethine merocyanines as blue–sensitising dyes (1–8), and of three benzoxazole-rhodanine dimethine merocyanines as green-sensitising dyes (9–11). The compounds were characterised from UV–VIS, mass spectroscopic and NMR data, and the purity of the products was analysed using HPLC. Oxidation potentials were measured using cyclic voltammetry. Ionisation potentials and electron affinities were obtained by semi-empirical MOPAC calculations. The charge-density distributions of the pyridine and benzothiazole rhodanine dyes are in agreement with assignments in NMR spectroscopy. A linear dependence is found between the oxidation potential and ionisation potential, as well as between the reduction potential and electron affinity. Reflection spectra of 6 and 7 coated on photographic emulsions showed J-aggregate absorption at λ= 450 and 465 nm, respectively. The sensitising properties of the merocyanine dyes were evaluated in actual photographic T-grain emulsions.

  报告了 8 种作为蓝色敏化染料的吡啶、苯并噻唑和苯并咪唑-罗丹宁零甲胺美拉德花青素（1-8）和 3 种作为绿色敏化染料的苯并恶唑-罗丹宁二甲胺美拉德花青素（9-11）的合成。根据紫外可见光谱、质谱和核磁共振数据对这些化合物进行了表征，并使用高效液相色谱分析了产品的纯度。使用循环伏安法测量了氧化电位。电离电位和电子亲和力是通过半经验 MOPAC 计算获得的。吡啶和苯并噻唑罗丹宁染料的电荷密度分布与核磁共振光谱的分配一致。氧化电位和电离电位之间以及还原电位和电子亲和力之间呈线性关系。涂在感光乳剂上的 6 和 7 的反射光谱显示，在 λ= 450 和 465 纳米处分别有 J-聚集吸收。在实际的照相 T 粒乳剂中对梅洛菁染料的敏化特性进行了评估。
• Blue spectral sensitizers for non-tabular silver halide elements
  申请人：E. I. du Pont de Nemours and Company

  公开号：US05102781A1

  公开（公告）日：1992-04-07

  Zeromethine blue spectral sensitizing dyes have found utility in emulsions made without tabular grains. These emulsions are particularly useful for exposure to a light source rich in blue emission and are especially useful in radiographic elements designed for exposure to intensifying screens having such emission.

  零甲基蓝色光谱敏化染料在不使用平板晶粒制成的乳剂中发现了实用性。这些乳剂对于接受富含蓝色辐射的光源曝光特别有用，并且在设计用于接受具有此类辐射的增强屏幕曝光的放射成像元素中尤其有用。
• Light-sensitive compositions
  申请人：Fuji Photo Film Co., Ltd.

  公开号：US04356247A1

  公开（公告）日：1982-10-26

  A light-sensitive composition particularly suitable for making light-sensitive lithographic printing plates is described composed of a mixture of a sensitizer and a photo-crosslinkable polymer, or a mixture of a sensitizer, a compound including a light-sensitive azido group and a polymer reactive with a decomposate of azido groups to be formed upon exposure to light, and a sensitizer represented by the formula (I) ##STR1## wherein A represents a non-metallic atomic group necessary for forming a heterocyclic ring containing nitrogen; R.sub.1 represents an alkyl group or a substituted alkyl group; R.sub.2 represents hydrogen, an alkyl group, a substituted alkyl group, an aryl group, or a substituted aryl group; and Y and Z each represents an oxygen atom or a sulfur atom.

  本文描述了一种特别适用于制作光敏石版印刷版的光敏组合物，由敏化剂和光交联聚合物的混合物组成，或由敏化剂、含有光敏偶氮基的化合物和与偶氮基分解产物反应的聚合物的混合物组成，以及由式（I）所表示的敏化剂，其中A表示必要的非金属原子基团，用于形成含氮杂环环；R1表示烷基或取代烷基；R2表示氢、烷基、取代烷基、芳基或取代芳基；Y和Z各自表示氧原子或硫原子。
• Jeffreys,R.A., Journal of the Chemical Society, 1963, p. 5824 - 5831
  作者：Jeffreys,R.A.

  DOI：——

  日期：——