3-(2-氯-苯基)-2-硫代-丙酸 | 7282-58-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 3-(2-氯-苯基)-2-硫代-丙酸
• 英文名称: 3-(2-chloro-phenyl)-2-thioxo-propionic acid
• 英文别名: 3-(2-Chlor-phenyl)-2-thioxo-propionsaeure；α-Thion-β-(2-chlor-phenyl)-propionsaeure；3-(2-Chlorophenyl)-2-sulfanylidenepropanoic acid
• CAS: 7282-58-8
• 化学式: C₉H₇ClO₂S
• mdl: MFCD24389404
• 分子量: 214.672
• InChiKey: XCCLIPKNVFOWLU-UHFFFAOYSA-N

物化性质

• 沸点：
  372.4±44.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-氯-苯基)-2-硫代-丙酸 在 氢氧化钾 、 乙醇 、 羟胺 作用下， 生成 邻氯苯乙酸
  参考文献：
  名称：

  Iodine deficiency in Calabria: Characterization of endemic goiter and analysis of different indicators of iodine status region-wide

  摘要：

  The distribution of goiter prevalence in schoolchildren (no.=13,984, age 6-14 yr), the neonatal TSH results obtained from the congenital hypothyroidism screening program and the urinary iodine excretion values (no.=284) were employed for the assessment of iodine deficiency in Calabria, a Southern Italy region. Data were collected during the years 1990-1996. In the inland territory, goiter prevalence ranged from 19 to 64%. At sea level, there was a great variability of goiter prevalence, with values varying from 5.3 to 25.7%. The analysis of the neonatal hypothyroidism screening program data (no.=21,078) showed a 14.8% frequency of TSH levels >5 muU/ml whole blood in newborns from the inland territory and a 14.1% frequency at sea level. Urinary iodine excretion resulted (mean+/-SD) 53.8+/-43.4 mug/l (range: <20 to 189 mu g/1) in the inland territory and 89.6+/-59.8 mu g/l (range: 26 to 333 mu g/l) at sea level. Median urinary iodine excretion values in 13 villages or small towns of the inland territory ranged from 31 to 57 mu g/l. In 2 major towns located at sea level, the median iodine excretion values were 72 mu g/l in Crotone main city and 94 mu g/l in Reggio Calabria main city. The data indicated that moderate, with pockets of severe iodine deficiency is present in the inland region while iodine supply varies from sufficient to marginally low in the coastal areas. Mild iodine deficiency was found in a major town located at sea level.

  DOI：

  10.1007/bf03343991
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 barium dihydroxide 作用下， 生成 3-(2-氯-苯基)-2-硫代-丙酸
  参考文献：
  名称：

  Andreasch, Monatshefte fur Chemie, 1928, vol. 49, p. 125

  摘要：

  DOI：

文献信息

• Andreasch, Monatshefte fur Chemie, 1928, vol. 49, p. 125
  作者：Andreasch

  DOI：——

  日期：——
• Iodine deficiency in Calabria: Characterization of endemic goiter and analysis of different indicators of iodine status region-wide
  作者：G. Costante、L. Grasso、E. Schifino、M. F. Marasco、U. Crocetti、C. Capula、R. Chiarella、O. Ludovico、M. Nocera、G. Parlato、S. Filetti

  DOI：10.1007/bf03343991

  日期：2002.3

  The distribution of goiter prevalence in schoolchildren (no.=13,984, age 6-14 yr), the neonatal TSH results obtained from the congenital hypothyroidism screening program and the urinary iodine excretion values (no.=284) were employed for the assessment of iodine deficiency in Calabria, a Southern Italy region. Data were collected during the years 1990-1996. In the inland territory, goiter prevalence ranged from 19 to 64%. At sea level, there was a great variability of goiter prevalence, with values varying from 5.3 to 25.7%. The analysis of the neonatal hypothyroidism screening program data (no.=21,078) showed a 14.8% frequency of TSH levels >5 muU/ml whole blood in newborns from the inland territory and a 14.1% frequency at sea level. Urinary iodine excretion resulted (mean+/-SD) 53.8+/-43.4 mug/l (range: <20 to 189 mu g/1) in the inland territory and 89.6+/-59.8 mu g/l (range: 26 to 333 mu g/l) at sea level. Median urinary iodine excretion values in 13 villages or small towns of the inland territory ranged from 31 to 57 mu g/l. In 2 major towns located at sea level, the median iodine excretion values were 72 mu g/l in Crotone main city and 94 mu g/l in Reggio Calabria main city. The data indicated that moderate, with pockets of severe iodine deficiency is present in the inland region while iodine supply varies from sufficient to marginally low in the coastal areas. Mild iodine deficiency was found in a major town located at sea level.