tetrahydro-pyrrolo[1,2-c]thiazole-3-thione | 89711-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并噻唑
• 英文名称: tetrahydro-pyrrolo[1,2-c]thiazole-3-thione
• 英文别名: Hexahydropyrrolo<1.2-c>thiazol-3-thion；Hexahydro-3-thionopyrrolo[1,2-C] thiazole；5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole-3-thione
• CAS: 89711-93-3
• 化学式: C₆H₉NS₂
• 分子量: 159.276
• InChiKey: WDPQMHSMDSUSGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  245.0±23.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  60.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetrahydro-pyrrolo[1,2-c]thiazole-3-thione 在 氨 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase

  摘要：

  Syntheses and evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase (NOS) are discussed. An extensive SAR was established for pyrrolidin-2-imines class of compounds. The amidines came out as the most potent inhibitors in addition to displaying selectivity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.033
• 作为产物：
  描述：

  吡咯烷-2-甲醇 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 生成 tetrahydro-pyrrolo[1,2-c]thiazole-3-thione
  参考文献：
  名称：

  Evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase

  摘要：

  Syntheses and evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase (NOS) are discussed. An extensive SAR was established for pyrrolidin-2-imines class of compounds. The amidines came out as the most potent inhibitors in addition to displaying selectivity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.033

文献信息

• Heteroalicyclic Analogs of 2- and 3-Aminoalkanethiols^1,2
  作者：James R. Piper、Thomas P. Johnston

  DOI：10.1021/jo01039a025

  日期：1963.4
• US4148800A
  申请人：——

  公开号：US4148800A

  公开（公告）日：1979-04-10
• Evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase
  作者：K Shankaran、Karla L Donnelly、Shrenik K Shah、Ravindra N Guthikonda、Malcolm MacCoss、John L Humes、Stephen G Pacholok、Stephan K Grant、T.M Kelly、K.K Wong

  DOI：10.1016/j.bmcl.2004.06.033

  日期：2004.9

  Syntheses and evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase (NOS) are discussed. An extensive SAR was established for pyrrolidin-2-imines class of compounds. The amidines came out as the most potent inhibitors in addition to displaying selectivity. (C) 2004 Elsevier Ltd. All rights reserved.