N-(2-hydroxyethyl)-3-imino-3H-1,2-benzodithiole | 19791-11-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: N-(2-hydroxyethyl)-3-imino-3H-1,2-benzodithiole
• 英文别名: 2-benzo[1,2]dithiol-3-ylideneamino-ethanol；benzo[1,2]dithiol-3-one-(2-hydroxy-ethylimine)；Benzo[1,2]dithiol-3-on-(2-hydroxy-aethylimin)
• CAS: 19791-11-8
• 化学式: C₉H₉NOS₂
• 分子量: 211.309
• InChiKey: SZIOOEAIMVFKRY-KTKRTIGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1,2-苯并二噻戊环-3-硫酮 、 C.I.酸性橙108 在 ethanolic solution 作用下， 生成 N-(2-hydroxyethyl)-3-imino-3H-1,2-benzodithiole
  参考文献：
  名称：

  239.某些杂环化合物中存在动态异构现象的可能性

  摘要：

  DOI：

  10.1039/jr9360001143

文献信息

• In Vitro Anti-Mycobacterium avium Activity ofN-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one and -thione Carbamic Esters
  作者：Giuseppe Pagani、Pietro Borgna、Claudio Piersimoni、Domenico Nista、Marco Terreni、Massimo Pregnolato

  DOI：10.1002/ardp.19963290810

  日期：——

  A series of N‐(2‐hydroxyethyl)‐1,2‐benzisothiazol‐3(2H)‐one and ‐thione carbamic esters have been synthesised and tested against Mycobacterium avium strains. The MIC values determined by the radiometric broth dilution method were between 2 and 8 μg/mL for the benzisothiazolthione derivatives and between 16 and 32 μg/mL or higher for the corresponding benzisothiazolone derivatives.

  已经合成了一系列 N-(2-羟乙基)-1,2-苯并异噻唑-3(2H)-one 和-硫酮氨基甲酸酯，并针对鸟分枝杆菌菌株进行了测试。用放射性肉汤稀释法测定的 MIC 值对于苯并异噻唑硫酮衍生物在 2 和 8 μg/mL 之间，对于相应的苯并异噻唑酮衍生物在 16 和 32 μg/mL 之间或更高。
• Antimicrobial activity of N-hydroxyalkyl 1,2-benzisothiazol-3(2H) -ones and their thiono analogues
  作者：P Borgna、ML Carmellino、M Natangelo、G Pagani、F Pastoni、M Pregnolato、M Terreni

  DOI：10.1016/s0223-5234(97)89857-1

  日期：1996.1

  N-Hydroxyalkyl derivatives of 1,2-benzisothiazol-3(2H)-one and 1,2-benzisothiazol-3(2H)-thione have been prepared and their antifungal and antibacterial activity evaluated. Several compounds were active against selected fungi and Gram-positive microorganisms. Interesting activity was observed against the anaerobic strain Clostridium perfringens. Generally the more active compounds belong to the class of 1,2-benzisothiazol-3(2H)-ones. The retardation matches R(M) of the compounds was also evaluated but the results obtained show that lipophilicity has only a minor effect on the antimicrobial activity.
• 239. The possibility of dynamic isomerism in certain heterocyclic compounds
  作者：E. W. McClelland、C. E. Salkeld

  DOI：10.1039/jr9360001143

  日期：——