2-庚烷硫醇 | 628-00-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 中文名称: 2-庚烷硫醇
• 英文名称: heptane-2-thiol
• 英文别名: 2-heptanethiol；2-Mercapto-heptan；Heptan-2-thiol
• CAS: 628-00-2
• 化学式: C₇H₁₆S
• 分子量: 132.27
• InChiKey: DAZNOIJJVKASGS-UHFFFAOYSA-N

物化性质

• 熔点：
  -141°C
• 沸点：
  174.25°C (estimate)
• 密度：
  0.8311
• LogP：
  3.72
• 物理描述：
  Colourless liquid; Pungent, sulfureous odour
• 溶解度：
  Slightly soluble in water
• 折光率：
  1.442-1.445 (25°)
• 保留指数：
  983

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  1

ADMET

毒理性

• 副作用

其他毒物 - 化学窒息剂

Other Poison - Chemical Asphyxiant

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-庚烷硫醇 在 氯 、 溶剂黄146 作用下， 生成 2-chlorosulfonyl heptane
  参考文献：
  名称：

  THE PREPARATION OF ALKANESULFONYL HALIDES

  摘要：

  DOI：

  10.1021/jo01144a013
• 作为产物：
  描述：

  2-溴庚烷 在 乙醇 、 potassium hydrosulfide 作用下， 生成 2-庚烷硫醇
  参考文献：
  名称：

  Ellis; Reid, Journal of the American Chemical Society, 1932, vol. 54, p. 1685

  摘要：

  DOI：

文献信息

• QUENCHER
  申请人：Wako Pure Chemical Industries, Ltd.

  公开号：US20170342031A1

  公开（公告）日：2017-11-30

  A quencher is disclosed having a compound represented by the following general formula (1): wherein R 5 each independently represent a halogen atom, an alkyl group, an alkoxy group, an alkylthio group, an amino group having a substituent or not having a substituent, a hydroxy group, an aryl group, an aryloxy group, or an arylalkyl group; R 6 represents a group having a polymerizable unsaturated group, a hydroxy group, or the like; Y 1 represents an oxygen atom, or the like; An − represents an anion; Ar 1 represents a specific ring structure; * and ** represent binding positions; Ar 2 represents a benzene ring, a naphthalene ring, or an anthracene ring; n 1 represents a specific integer; and the following structure (1-10) in the general formula (1) is an asymmetric structure; (wherein R 5 , Y 1 , Ar 1 , Ar 2 , n 1 , * and ** are the same as described above.).

  一种淬灭剂被公开，该淬灭剂具有以下一般公式(1)表示的化合物： 其中R5各自独立代表一个卤素原子、一个烷基团、一个烷氧基团、一个烷硫基团、一个带有或不带有取代基的氨基团、一个羟基、一个芳基团、一个芳氧基团或一个芳烷基团；R6代表一个具有可聚合不饱和基团、一个羟基或类似基团的集团；Y1代表一个氧原子或类似；An代表一个阴离子；Ar1代表一个特定的环结构；*和**代表结合位置；Ar2代表一个苯环、一个萘环或一个蒽环；n1代表一个特定的整数； 并且一般公式(1)中的以下结构(1-10)是一个不对称结构； (其中R5、Y1、Ar1、Ar2、n1、*和**与上述描述相同)。
• ALPHA-SUBSTITUTED VINYLTIN COMPOUND
  申请人：Tatsuta Kuniaki

  公开号：US20090023939A1

  公开（公告）日：2009-01-22

  To provide α-substituted vinyltin useful for the search for function-developing substances such as pharmaceuticals/agrichemicals and functional materials and for the construction of a compound library. An α-substituted vinyltin compound represented by the formula (1), a tautomer or salt of the compound or a solvate thereof: R 2 CH═C(R 3 )Sn(R 1 ) 3 (1) wherein R 1 is a C 1-10 alkyl group, a C 2-14 aryl group or the like, R 2 is a C 2-14 aryl group, a C 2-9 heterocyclyl group, a C 3-10 cycloalkyl group or the like, and R 3 is a carbamoyl group, a thiocarbamoyl group, an isocyanate group, an isothiocyanate group, a formylamino group, a thioformylamino group, an isonitrile group, an urea group, a carbamate group or the like.

  提供α-取代的乙烯基锡，用于寻找功能发展物质，如药物/农药和功能材料，以及用于构建化合物库。由下式表示的α-取代的乙烯基锡化合物（1）或其互变异构体或盐或溶剂合物：R2CH═C(R3)Sn(R1)3（1）其中R1是C1-10烷基，C2-14芳基或类似物，R2是C2-14芳基，C2-9杂环基，C3-10环烷基或类似物，R3是氨基甲酰基，硫氨基甲酰基，异氰酸酯基，异硫氰酸酯基，甲酰氨基基，硫代甲酰氨基基，异腈基，脲基，氨基甲酸酯基或类似物。
• An efficient, one-pot synthesis of trithiocarbonates from the corresponding thiols using the Mitsunobu reagent
  作者：Devdutt Chaturvedi、Amit K. Chaturvedi、Nisha Mishra、Virendra Mishra

  DOI：10.1016/j.tetlet.2008.06.001

  日期：2008.8

  A novel Mitsunobu-based protocol has been developed for the synthesis of a variety of symmetrical and unsymmetrical trithiocarbonates from primary, secondary and tertiary thiols using carbon disulfide, in good to excellent yields. This protocol is mild and efficient compared to other reported methods.

  已经开发了一种新颖的基于Mitsunobu的方案，该方案可使用二硫化碳从伯，仲和叔硫醇合成多种对称和不对称的三硫代碳酸酯，收率良好。与其他报告的方法相比，该协议是温和有效的。
• Effects analysis of time-varying or repeated exposures in aquatic ecological risk assessment of agrochemicals
  作者：Kevin H. Reinert、Jeffrey M. Giddings、Laura Judd

  DOI：10.1002/etc.5620210928

  日期：2002.9

  investigate the toxicity of time-varying or repeated exposures. Detoxification, elimination, and recovery may occur within organisms or populations during the periods between exposures. The difficulty of estimating effects of realistic time-varying exposures from measurements made under constant exposure conditions is often an important source of uncertainty in ecological risk assessment of pesticides. This

  在水生环境中接触农用化学品通常以时变或重复脉冲的形式发生。由于径流事件和与降水和应用事件相关的喷雾漂移，可能会发生随时间变化的暴露。水文稀释、分散和降解也会产生脉冲暴露。使用恒定暴露浓度的标准实验室毒性测试通常不会调查随时间变化或重复暴露的毒性。在接触之间的时期内，生物体或种群内可能会发生解毒、消除和恢复。在恒定暴露条件下进行的测量难以估计实际时变暴露的影响，这通常是农药生态风险评估中不确定性的重要来源。
• PROCESS FOR PRODUCING ESTER COMPOUND
  申请人：Imazeki Shigeaki

  公开号：US20100324314A1

  公开（公告）日：2010-12-23

  PROBLEM To provide an environmentally-friendly method for producing industrially an ester compound. SOLUTION The present invention is a method for producing an ester compound which comprises subjecting a carboxylic acid and an alcohol to dehydration-condensation reaction using an involatile acid catalyst and then removing the residual acid catalyst by bringing a weak basic substance into contact with the residual acid catalyst.

  问题提供一种生产工业酯化合物的环保方法。 解决方案是一种生产酯化合物的方法，包括将羧酸和醇经过脱水缩合反应，使用一种不挥发的酸催化剂，然后通过将弱碱性物质与残留的酸催化剂接触来去除残留的酸催化剂。