2-chloro-1,3,2-dithiarsenane | 41635-50-1

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 2-chloro-1,3,2-dithiarsenane
• 英文别名: 2-Chlor-1,3,2-dithiaarsenan；2-Chlor-1,3,2-dithioarsenan；2-chloro-[1,3,2]dithiarsinane；2-chloro-1,3,2-dithiarsinane
• CAS: 41635-50-1
• 化学式: C₃H₆AsClS₂
• 分子量: 216.587
• InChiKey: GYJFMVWUTOMFBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.08
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-1,3,2-dithiarsenane 在 sodium iodide 作用下， 以 丙酮 为溶剂， 以15.6%的产率得到propane-1,3-dyldimercapto arsenic iodide
  参考文献：
  名称：

  Structural characteristics of 2-halo-1,3,2-dithiarsenic compounds and tris-(pentafluorophenylthio)-arsen

  摘要：

  The combination of various dithiols and AsX3 (X = F, Cl) produces the series of cyclized halo-arsenic dithiolate compounds: 2-chloro-1,3,2-dithiarsolane [AsCl(SCH2CH2S)1 (1), 2-iodo-1,3,2-dithiarsolane [AsI(SCH2CH2S)](2), 2-chloro-1,3,2-dithiarsenane [AsCl(SCH2CH2CH2S)] (3), 2-iodo-1,3,2-dithiarsenane [AsI(SCH2CH2CH2S)] (4), 3-chloro4H,7H-5.6-benz-1,3,2-dithiarsepine [AsCl(SCH2)(2)(C6H4)] (5), 1,2-bis-dithiarsolan-2-ylmercapto-ethane [As-2(SCH2CH2S)(2)(SCH2CH2S)] (6) and tris-(pentafluorophenylthio)-arsen [As(SC6F5)(3)] (7). The geometry around As for these compounds is best described as trigonal pyramidal with varying degrees of distortion. Compound 1 13 crystallizes in two polymorphic forms with similar structural parameters. The compounds have been characterized by IR, H-1, F-19, and C-13 NMR, X-ray crystallography and GC-MS. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.12.034
• 作为产物：
  描述：

  1,3-丙二硫醇 在 arsenic trichloride 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 以90%的产率得到2-chloro-1,3,2-dithiarsenane
  参考文献：
  名称：

  Structural characteristics of 2-halo-1,3,2-dithiarsenic compounds and tris-(pentafluorophenylthio)-arsen

  摘要：

  The combination of various dithiols and AsX3 (X = F, Cl) produces the series of cyclized halo-arsenic dithiolate compounds: 2-chloro-1,3,2-dithiarsolane [AsCl(SCH2CH2S)1 (1), 2-iodo-1,3,2-dithiarsolane [AsI(SCH2CH2S)](2), 2-chloro-1,3,2-dithiarsenane [AsCl(SCH2CH2CH2S)] (3), 2-iodo-1,3,2-dithiarsenane [AsI(SCH2CH2CH2S)] (4), 3-chloro4H,7H-5.6-benz-1,3,2-dithiarsepine [AsCl(SCH2)(2)(C6H4)] (5), 1,2-bis-dithiarsolan-2-ylmercapto-ethane [As-2(SCH2CH2S)(2)(SCH2CH2S)] (6) and tris-(pentafluorophenylthio)-arsen [As(SC6F5)(3)] (7). The geometry around As for these compounds is best described as trigonal pyramidal with varying degrees of distortion. Compound 1 13 crystallizes in two polymorphic forms with similar structural parameters. The compounds have been characterized by IR, H-1, F-19, and C-13 NMR, X-ray crystallography and GC-MS. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.12.034

文献信息

• Structural characteristics of 2-halo-1,3,2-dithiarsenic compounds and tris-(pentafluorophenylthio)-arsen
  作者：Taimur A. Shaikh、Ronald C. Bakus、Sean Parkin、David A. Atwood

  DOI：10.1016/j.jorganchem.2005.12.034

  日期：2006.4

  The combination of various dithiols and AsX3 (X = F, Cl) produces the series of cyclized halo-arsenic dithiolate compounds: 2-chloro-1,3,2-dithiarsolane [AsCl(SCH2CH2S)1 (1), 2-iodo-1,3,2-dithiarsolane [AsI(SCH2CH2S)](2), 2-chloro-1,3,2-dithiarsenane [AsCl(SCH2CH2CH2S)] (3), 2-iodo-1,3,2-dithiarsenane [AsI(SCH2CH2CH2S)] (4), 3-chloro4H,7H-5.6-benz-1,3,2-dithiarsepine [AsCl(SCH2)(2)(C6H4)] (5), 1,2-bis-dithiarsolan-2-ylmercapto-ethane [As-2(SCH2CH2S)(2)(SCH2CH2S)] (6) and tris-(pentafluorophenylthio)-arsen [As(SC6F5)(3)] (7). The geometry around As for these compounds is best described as trigonal pyramidal with varying degrees of distortion. Compound 1 13 crystallizes in two polymorphic forms with similar structural parameters. The compounds have been characterized by IR, H-1, F-19, and C-13 NMR, X-ray crystallography and GC-MS. (c) 2006 Elsevier B.V. All rights reserved.

表征谱图