1-acetoxy-5-methylthiazoline-2-(1H)-thione | 106130-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-acetoxy-5-methylthiazoline-2-(1H)-thione
• 英文别名: N-acetyloxy-4-methylthiazole-2(3H)-thione；3-acetoxy-4-methylthiazol-2(3H)-thione；2(3H)-Thiazolethione, 3-(acetyloxy)-4-methyl-；(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) acetate
• CAS: 106130-56-7
• 化学式: C₆H₇NO₂S₂
• 分子量: 189.259
• InChiKey: FTSGEIQXUAMWDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-羟基-4-甲基-2(3H)-噻唑硫酮 、 乙酰氯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以74%的产率得到1-acetoxy-5-methylthiazoline-2-(1H)-thione
  参考文献：
  名称：

  N-酰氧基-4-甲基噻唑-2（3 H）-硫酮的旋转受阻

  摘要：

  实验确定的在由β-二取代的羧酸和环状硫代羟肟酸N-羟基-4-甲基噻唑-2（3 H）-硫酮组成的混合酸酐中O-酰基拓扑异构化的障碍位于ΔG ‡ 320 = 68的范围内± 8kJ mol -1（DNMR）。根据模型研究，提出了潜在的交换过程是通过绕N，O键旋转而发生的，以使O-酰基通过杂环的4-甲基取代基发生扭转运动。预计通过硫醚硫通过O-酰基实体的能量最低的途径是通过在CSP2个，O单键结合围绕N，O轴的交错扭曲。

  DOI：

  10.1016/j.tet.2009.06.124

文献信息

• RUBBER COMPOSITION AND VULCANIZATION AID
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20170130028A1

  公开（公告）日：2017-05-11

  A rubber composition comprising a compound having one or more groups represented by formula (X) and a rubber component is provided. wherein ring W 1 represents a cyclic group having at least one selected from the group consisting of —C(═O)— and —C(═S)—; N 10 represents a nitrogen atom; the at least one selected from the group consisting of —C(═O)— and —C(═S)— in the ring W 1 and N 10 are conjugated; and Z 1 represents —O— or —S—.

  提供一种橡胶组合物，包括具有一个或多个由式（X）表示的基团和橡胶组分，其中环W1代表具有至少一种从羰基和硫代基组成的群中选出的环；N10代表氮原子；环W1和N10中所选的至少一种从羰基和硫代基组成的群是共轭的；Z1代表氧或硫。
• Biocides
  申请人：Zeneca Limited

  公开号：US05596102A1

  公开（公告）日：1997-01-21

  Compounds having a 5 membered, nitrogen containing ring with a thione group adjacent to a nitrogen atom substituted with an OR group have antimicrobial properties. Metal complexes or salts of these compounds also have antimicrobial properties. The compounds, or the metal complexes or salts thereof, can be used as a cutting fluid preservative, a wood preservative, in cooling water applications or as an antimicrobial agent in a paint. Some of the compounds are new. The metal complexes or salts are new.

  具有含氮的5元环硫醇基团，其中硫醇基团靠近氮原子，被OR基团取代的化合物具有抗微生物性能。这些化合物的金属配合物或盐也具有抗微生物性能。这些化合物或其金属配合物或盐可以用作切削液防腐剂、木材防腐剂、冷却水应用或油漆中的抗微生物剂。其中一些化合物是新的。金属配合物或盐是新的。
• Heterocyclic thione compounds and their use as biocides
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0249328A2

  公开（公告）日：1987-12-16

  Compounds having a 5 membered, nitrogen containing ring with a thione group adjacent to a nitrogen atom substituted with an OR group have antimicrobial properties. Metal complexes or salts of these compounds also have antimicrobial properties. The compounds, or the metal complexes or salts thereof, can be used as a cutting fluid preservative, a wood preservative, in cooling water applications or as an antimicrobial agent in a paint. Some of the compounds are new. The metal complexes or salts are new.

  具有 5 个成员的含氮环，其中一个硫酮基团与一个被 OR 基团取代的氮原子相邻的化合物具有抗菌特性。这些化合物的金属络合物或盐也具有抗菌特性。这些化合物或其金属络合物或盐可用作切削液防腐剂、木材防腐剂、冷却水应用或涂料中的抗菌剂。其中一些化合物是新型的。金属络合物或盐是新的。
• Rubber composition and vulcanization aid
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US10287419B2

  公开（公告）日：2019-05-14

  A rubber composition comprising a compound having one or more groups represented by formula (X) and a rubber component is provided. wherein ring W1 represents a cyclic group having at least one selected from the group consisting of —C(═O)— and —C(═S)—; N10 represents a nitrogen atom; the at least one selected from the group consisting of —C(═O)— and —C(═S)— in the ring W1 and N10 are conjugated; and Z1 represents —O— or —S—.

  提供了一种橡胶组合物，该组合物由具有一个或多个由式 (X) 表示的基团的化合物和橡胶成分组成。 其中环 W1 代表环状基团，该环状基团至少有一个选自-C(═O)- 和-C(═S)- 组成的组；N10 代表氮原子；环 W1 和 N10 中至少一个选自-C(═O)- 和-C(═S)- 组成的组是共轭的；Z1 代表-O- 或-S-。
• Materials which can be cured by chain transfer polymerization
  申请人：IVOCLAR VIVADENT AG

  公开号：US10736820B2

  公开（公告）日：2020-08-11

  Radically polymerizable dental material, which contains at least one sulphonic acid ester of Formula 1: in which A is H, CN, an aromatic, cycloaliphatic, linear or branched aliphatic C1-C30-hydrocarbon radical or a combination thereof; X is COO— or —CON(R1)— or is absent; B is an aromatic, cycloaliphatic, linear or branched aliphatic C1-C30-hydrocarbon radical, or a combination thereof; R1 is hydrogen or an aromatic, cycloaliphatic, linear or branched aliphatic C1-C10-hydrocarbon radical; m is an integer from 1 to 6, n is an integer from 1 to 6 and p is an integer from 1 to 6; wherein m and p cannot simultaneously be greater than 1. The compounds of Formula 1 are active as chain transfer agents in radical polymerization.

  可辐射聚合的牙科材料，其中至少含有一种式 1 的磺酸酯： 其中 A 是 H、CN、芳香族、环脂族、直链或支链脂肪族 C1-C30-烃基或它们的组合；X 是 COO- 或 -CON(R1)- 或不存在；B 是芳香族、环脂族、直链或支链脂肪族 C1-C30-烃基或它们的组合；R1 是氢或芳香族、环烃基、直链或支链脂肪族 C1-C10-烃基；m 是 1 至 6 的整数，n 是 1 至 6 的整数，p 是 1 至 6 的整数；其中 m 和 p 不能同时大于 1。式 1 的化合物在自由基聚合中作为链转移剂具有活性。