potassium methanethiosulphonate | 6340-98-3

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: potassium methanethiosulphonate
• 英文别名: methanesulfonothioic acid potassium salt；potassium methanethiolsulfonate；potassium methanethiosulfonate；methanethiosulfonic acid ; potassium-salt；Methanthiosulfonsaeure; Kalium-Salz；potassium methylsulfonylthiolate；Potassium;sulfidosulfonylmethane；potassium;sulfidosulfonylmethane
• CAS: 6340-98-3
• 化学式: CH₃O₂S₂*K
• 分子量: 150.264
• InChiKey: SMOOPNYQNKPFGT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.5
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-溴丙腈 、 potassium methanethiosulphonate 以 水 、 丙酮 为溶剂， 生成 methylthiosulfonic acid S-(2-cyanoethyl) ester
  参考文献：
  名称：

  烷基和芳基硫代硫酸盐。

  摘要：

  DOI：

  10.1021/jm00335a028
• 作为试剂：
  描述：

  N,N-双(2-氯乙基)苯胺 在 potassium methanethiosulphonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 Methanthiosulfonsaeure-S-(2-<3.4-dihydro-2H-1.4-benzothiazinyl-(4)>-aethylester)
  参考文献：
  名称：

  Dunbar,J.E.; Tarnowski,B.H., Journal of Heterocyclic Chemistry, 1967, vol. 4, p. 339 - 343

  摘要：

  DOI：

文献信息

• Synthesis of New 3,4-Disubstituted 2,5-Dihydro-1<i>H</i>-pyrrol-1-yloxyl Spin-Label Reagents via Allylic Rearrangements
  作者：Kálmán Hideg、Cecília P. Sár、Olga H. Hankovszky、Tünde Tamás、Gyula Jerkovich

  DOI：10.1055/s-1993-25870

  日期：——

  Several 3,4-disubstituted 2,5-dihydro-1H-pyrrol-1-yloxyl radicals were synthesized. 2,5-Dihydro-3-hydroxymethyl-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxyl radical (1) was reacted with triethyl orthoacetate in a Claisen rearrangement to give the exoolefinic compound 2. This was converted to its 1-acetoxyl derivative 3, which was then brominated in the allylic position. Subsequent rearrangement gave the endoolefinic compound 1-acetoxyl-4-bromomethyl-3-ethoxycarbonylmethyl-2,2,5,5-tetramethyl-1H-pyrrole radical (4). The allylic bromine could be replaced with nucleophiles (NaSCN, KSeCN, thiourea, selenourea, NaN3 and KSSO2Me) to give 5a-e and 26. The diamagnetic thiocyanates and selenocyanates could be reduced with sodium borohydride to the free thiol and selenol monoradicals, which were oxidized to reversible, ester-functionalized disulfide or diselenide diradical reagents 24 and 25.

  合成了几个3,4-二取代的2,5-二氢-1H-吡咯-1-氧基自由基。2,5-二氢-3-羟甲基-2,2,5,5-四甲基-1H-吡咯-1-氧基自由基（1）经Claisen重排反应与三乙基原乙酸酯反应，得到外烯烃化合物2。将其转化为1-乙酸氧基衍生物3，然后在烯丙位进行溴化。随后的重排反应得到内烯烃化合物1-乙酸氧基-4-溴甲基-3-乙氧羰甲基-2,2,5,5-四甲基-1H-吡咯自由基（4）。烯丙位的溴可以被亲核试剂（NaSCN、KSeCN、硫脲、硒脲、NaN3和KSSO2Me）取代，得到5a-e和26。无磁性的硫氰酸盐和硒氰酸盐可以用硼氢化钠还原成自由的硫醇和硒醇单自由基，这些自由基被氧化成可逆的、酯功能化的二硫化物或二硒化物双自由基试剂24和25。
• Cyclohexenonedioxothiochromanoyl derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US06440899B1

  公开（公告）日：2002-08-27

  Cyclohexenonedioxothiochromanoyl derivatives of the formula I where X is oxygen, sulfur, S═O, S(═O)2, CR4R5, C═O or C═NR6, the other substituents are as defined in the specification, and and agriculturally useful salts thereof; processes for preparing the cyclohexenonedioxotheiochromanoyl derivatives; compositions comprising them, and the use of these derivatives or of compositions comprising them for controling undesirable piants.

  化学式I的环己烯酮二氧硫代色苷衍生物，其中X是氧、硫、S═O、S(═O)2、CR4R5、C═O或C═NR6，其他取代基如规范中定义，并且其农业上有用的盐；制备环己烯酮二氧硫代色苷衍生物的方法；包含它们的组合物；以及利用这些衍生物或包含它们的组合物来控制不良植物。
• Pyrazolyldioxothiochromanoyl derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US06326333B1

  公开（公告）日：2001-12-04

  Pyrazolyldioxothiochromanoyl derivatives of the formula I where: X is oxygen, sulfur, S═O, S(═O)2, CR4R5, C═O or C═NR6, R1 is hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkylsulfonyl, haloalkylsulfonyl, aminosulfonyl with or without substitution or sulfonylamino with or without substitution; R2 is alkyl, haloalkyl, alkoxy or haloalkoxy; R3 is hydrogen, alkyl or halogen; R4, R5 are hydrogen, nitro, halogen, cyano, alkyl, haloalkyl, alkoxy, haloalkoxy, alkylthio, haloalkylthio, alkylsulfinyl, haloalkylsulfinyl, alkylsulfonyl, haloalkylsulfonyl or substituted amino; or R4 and R5 together form a chain which may be substituted and/or interrupted by oxygen or sulfur; or a methylidene group with or without substitution; l is 0 to 4; R7 is substituted pyrazol-4-ylcarbonyl or substituted pyrazol-4-ylmethylidene; and agriculturally useful salts thereof.

  公式I的吡唑二氧硫色素酰衍生物，其中：X为氧、硫、S═O、S(═O)2、CR4R5、C═O或C═NR6，R1为氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷基硫基、卤代烷基硫基、烷基亚砜基、卤代烷基亚砜基、烷基磺酰基、卤代烷基磺酰基、氨基磺酰基或带或不带取代的磺酰氨基；R2为烷基、卤代烷基、烷氧基或卤代烷氧基；R3为氢、烷基或卤素；R4、R5为氢、硝基、卤素、氰基、烷基、卤代烷基、烷氧基、卤代烷氧基、烷基硫基、卤代烷基硫基、烷基亚砜基、卤代烷基亚砜基、烷基磺酰基、卤代烷基磺酰基或取代氨基；或R4和R5共同形成一个链，该链可以被氧或硫取代和/或中断；或一个带或不带取代的甲基亚砜基；l为0至4；R7为取代的吡唑-4-基酰基或取代的吡唑-4-甲基亚砜基；及其农业上有用的盐。
• 2-(Sulfur-substituted)-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-ones
  申请人：The Dow Chemical Company

  公开号：US03943176A1

  公开（公告）日：1976-03-09

  Concerns compounds of the formula ##SPC1## Wherein R.sub.1 is a 1 to 6 carbon atom alkyl, benzyl, halobenzyl, lower alkylbenzyl, nitrobenzyl, alkenyl, haloalkenyl, 2-(lower alkylthio)lower alkyl or cyclohexylmethyl group, R.sub.2 is hydrogen, ammonium or alkali metal and n is an integer from 0 to 2. The compounds are prepared by reacting an alkali metal salt of 3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one with a thiolsulfonate. The compounds are useful as plant growth regulators.

  涉及的化合物的化学式为##SPC1##其中R.sub.1是1至6个碳原子的烷基、苄基、卤代苄基、较低的烷基苄基、硝基苄基、烯基、卤代烯基、2-(较低烷基硫)较低烷基或环己基甲基基团，R.sub.2是氢、铵离子或碱金属，n为0至2的整数。这些化合物是通过将3-羟基-5,5-二甲基-2-环己烯-1-酮的碱金属盐与硫代磺酸酯反应制备的。这些化合物可用作植物生长调节剂。
• Ca²⁺ ATPase Conformational Transitions in Lipid Bilayers Mapped by Site-directed Ethylation and Solid-State NMR
  作者：Vitaly V. Vostrikov、Martin Gustavsson、Tata Gopinath、Dan Mullen、Alysha A. Dicke、Vincent Truong、Gianluigi Veglia

  DOI：10.1021/acschembio.5b00953

  日期：2016.2.19

  Ca2+ into the sarcoplasmic reticulum. Using magic angle spinning NMR, we monitored the chemical shifts of the methylene and methyl groups of the derivatized cysteine residues along the major steps of the enzymatic cycle. The methylene chemical shifts are sensitive to the ATPase conformational changes induced upon nucleotide and Ca2+ ion binding and are ideal probes for active and inactive states of the

  为了跨细胞区室传递信号，许多膜包埋的酶经历了广泛的构象重排。由于这些系统的体积较大，因此以原子分辨率通过NMR监测脂质双层中的这些事件一直具有挑战性。对于难以表达和用NMR活性同位素标记的大型哺乳动物蛋白，这种情况会进一步恶化。在这里，我们合成和工程改造了天然半胱氨酸上的13 C乙基，以绘制肌浆网Ca 2+ -ATPase（一种转运Ca 2+的110 kDa跨膜酶）的结构转变图。进入肌质网。使用魔角旋转核磁共振，我们监测了沿酶促循环主要步骤衍生的半胱氨酸残基的亚甲基和甲基的化学位移。亚甲基化学位移对在核苷酸和Ca 2+离子结合后诱导的ATPase构象变化敏感，并且是该酶活跃状态和非活跃状态的理想探针。这种新方法可扩展至大型哺乳动物酶和信号蛋白，其氨基酸序列中具有天然或工程化的半胱氨酸残基。