1H-咪唑-4-甲腈,5-氨基-4,5-二氢-(9CI) | 90418-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 1H-咪唑-4-甲腈,5-氨基-4,5-二氢-(9CI)
• 英文名称: benzothiazol-2-yl-methyl thiocyanate
• 英文别名: Benzothiazol-2-yl-methylthiocyanat；thiocyanatomethyl benzothiazole；2-thiocyanatomethylbenzothiazole；2-(thiocyanomethyl) benzothiazole；2-Thiocyanomethyl benzothiazole；1,3-benzothiazol-2-ylmethyl thiocyanate
• CAS: 90418-95-4
• 化学式: C₉H₆N₂S₂
• 分子量: 206.292
• InChiKey: OFFXZLXAPVPFIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  90.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(toluene-4-sulfonyloxymethyl)-benzothiazole 、 potassium thioacyanate 在 丙酮 作用下， 生成 1H-咪唑-4-甲腈,5-氨基-4,5-二氢-(9CI)
  参考文献：
  名称：

  2-thiocyanomethyl benzothiazole and corresponding 5-chlorobenzothiazole and benzoxazoe

  摘要：

  公开号：

  US02932649A1

文献信息

• COLOR DEVELOPING COMPOSITION CONTAINING MOLECULAR COMPOUND, AND RECORDING MATERIAL
  申请人：Kodama Satoshi

  公开号：US20110120345A1

  公开（公告）日：2011-05-26

  Provided is a color-developing composition containing a molecular compound which has as a component compound a compound represented by formula (I) [wherein Y represents a C1-C12 hydrocarbon group which is chained or branched and saturated or unsaturated, or a C1-C8 hydrocarbon group which is chained or branched, saturated or unsaturated and has an ether or thioether bond; R 1 , R 2 , R 3 and R 4 each independently represent a C1-C6 alkyl group or C2-C6 alkenyl group; n, p, q and r each represents any integer of 0 to 4; and m represents any integer of 0 to 2]. Also provided is a recording material with a sufficient color-forming sensitivity, superior storage stability, and especially with an extremely little background fogging in a heat resistance test.

  提供的是一种含有分子化合物的彩色显影组合物，该分子化合物的组分包括由式（I）表示的化合物[其中Y表示链状或支链的C1-C12烃基，饱和或不饱和，或链状或支链的C1-C8烃基，饱和或不饱和，且具有醚或硫醚键；R1、R2、R3和R4各自独立地表示C1-C6烷基或C2-C6烯基；n、p、q和r各自表示0至4的任意整数；m表示0至2的任意整数]。还提供了一种具有足够的显色敏感性、优异的储存稳定性，特别是在耐热性测试中具有极少背景雾化的记录材料。
• Novel sulfur compounds and intermolecular compounds containing the same as the component compounds
  申请人：——

  公开号：US20030130358A1

  公开（公告）日：2003-07-10

  The invention aims at providing novel sulfur compounds, molecular compounds containing the same as the component compound, and so on. The above aim is achieved by using sulfur compounds of the general formula (I) wherein Rs are each independently hydrogen, optionally substituted C 1-6 alkyl, optionally substituted C 2-6 alkenyl, optionally substituted aryl, chloro, or bromo; m is an integer of 0, 1, or 2; and Z is a group represented by any of the general formulae (II) to (V) (wherein R and m are each as defined above; W is hydrogen or C 1-6 alkyl; and Y is a direct bond, C 1-3 alkylene, or phenylene). 1

  本发明旨在提供新型硫化合物、包含其作为组分化合物的分子化合物等。上述目的通过使用通式（I）的硫化合物实现，其中Rs分别独立地为氢、可选取代的C1-6烷基、可选取代的C2-6烯基、可选取代的芳基、氯或溴；m为0、1或2的整数；Z为由通式（II）至（V）中的任何一种表示的基团（其中R和m如上所定义；W为氢或C1-6烷基；Y为直接键、C1-3烷基或苯基）。
• MOLECULAR COMPOUNDS CONTAINING PHENOL DERIVATIVES AS CONSTITUENT
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1016656A1

  公开（公告）日：2000-07-05

  Novel molecular compounds which have an excellent performance in the technical fields where a useful substance is selectively separated, chemically stabilized, rendered nonvolatile or gradually releasable, powdered, or otherwise treated. The molecular compounds are produced from a phenol derivative represented by general formula (I), e.g., 3,3'-bis(phenylsulfonyl)-4,4'-dihydroxydiphenyl sulfone or 2,4-bis(phenylsulfonyl)phenol, as a constituent compound.

  新型分子化合物在对有用物质进行选择性分离、化学稳定、使其不挥发或逐渐释放、粉末化或其他处理的技术领域中具有优异的性能。这些分子化合物是由通式（I）所代表的苯酚衍生物，例如 3,3'-双（苯磺酰基）-4,4'-二羟基二苯砜或 2,4-双（苯磺酰基）苯酚，作为组成化合物生产出来的。
• MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1120391A1

  公开（公告）日：2001-08-01

  Novel molecular compounds containing carboxylic acid derivatives represented by general formula (I) or (II) as the constituent compound and exhibiting excellent performances in various technical fields including selective separation of useful substances, chemical stabilization, nonvolatilization, prolongation of release and powderization, wherein X is (CH2)n or p-phenylene; n is 0, 1, 2 or 3; R1 to R8 and R13 to R20 are each hydrogen, C1-C6 alkyl, C2-C4 alkenyl, phenyl optionally substituted with C1-C6 alkyl, halogeno or C1-C6 alkoxy; and R9 to R12 and R21 to R24 are each hydrogen, C1-C6 alkyl, C2-C4 alkenyl, C7-C12 aralkyl or an alkali metal.

  含有通式(I)或(II)代表的羧酸衍生物作为组成化合物的新型分子化合物，在有用物质的选择性分离、化学稳定、不挥发、延长释放和粉末化等各种技术领域表现出优异性能，其中X为(CH2)n或对亚苯基；n 是 0、1、2 或 3；R1 至 R8 和 R13 至 R20 分别是氢、C1-C6 烷基、C2-C4 烯基、任选被 C1-C6 烷基、卤素或 C1-C6 烷氧基取代的苯基；以及 R9 至 R12 和 R21 至 R24 分别是氢、C1-C6 烷基、C2-C4 烯基、C7-C12 芳基或碱金属。
• NOVEL SULFUR COMPOUNDS AND INTERMOLECULAR COMPOUNDS CONTAINING THE SAME AS THE COMPONENT COMPOUND
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1306369A1

  公开（公告）日：2003-05-02

  The invention aims at providing novel sulfur compounds, molecular compounds containing the same as the component compound, and so on. The above aim is achieved by using sulfur compounds of the general formula (I) wherein Rs are each independently hydrogen, optionally substituted C1-6 alkyl, optionally substituted C2-6 alkenyl, optionally substituted aryl, chloro, or bromo; m is an integer of 0, 1, or 2; and Z is a group represented by any of the general formulae (II) to (V) (wherein R and m are each as defined above; W is hydrogen or C1-6 alkyl; and Y is a direct bond, C1-3 alkylene, or phenylene).

  本发明旨在提供新型硫化合物、含有与组分化合物相同的分子化合物等。上述目的通过使用通式（I）的硫化合物来实现，其中 Rs 各自独立地为氢、任选取代的 C1-6 烷基、任选取代的 C2-6 烯基、任选取代的芳基、氯或溴；m 为 0、1 或 2 的整数；Z 为通式（II）至（V）中任一式所代表的基团（其中 R 和 m 各自如上所定义；W 为氢或 C1-6 烷基；Y 为直接键、C1-3 亚烷基或亚苯基）。