sodium 2,4,5-trichlorobenzenethiolate | 91157-00-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: sodium 2,4,5-trichlorobenzenethiolate
• 英文别名: 2,4,5-trichlorothiophenolate；2,4,5-trichloro-benzenethiol; sodium salt；2,4,5-Trichlor-thiophenol - Na-Salz；Sodium 2,4,5-trichlorothiophenolate；sodium;2,4,5-trichlorobenzenethiolate
• CAS: 91157-00-5
• 化学式: C₆H₂Cl₃S*Na
• 分子量: 235.497
• InChiKey: VJFRNQYBVLEQBR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.56
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  sodium 2,4,5-trichlorobenzenethiolate 反应 2.0h， 生成 2,3,7,8-四氯噻蒽
  参考文献：
  名称：

  Elimination kinetics and toxicity of 2,3,7,8-tetrachlorothiantheren, a thio analogue of 2,3,7,8-TCDD

  摘要：

  In comparison to the polychlorinated dibenzo-p-dioxins (PCDD) informations on their thio analogues the polychlorinated thianthrens (PCTA) are very limited. In this study we investigated the kinetics and toxicity of 2,3,7,8-tetrachlorothianthren (TCTA), the analogue of the most toxic PCDD congener 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD). It was found that TCTA is rapidly eliminated in mouse liver homogenate fortified with an NADPH-regenerating system suggesting rapid metabolic degradation by liver monooxygenases. Furthermore, TCTA. was rapidly eliminated from mouse liver and whole body. In accordance with this rapid elimination, a weekly dosage of 1 mg TCTA per kg body weight (i.p.) over six weeks did not result in weight loss or other signs of overt toxicity in male mice. In rat hepatocytes in primary culture, TCTA was active as inducer of dioxin receptor-regulated cytochrome P4501A1 activity measured as 7-ethoxyresorufin O-deethylase (EROD). The relative inducing potency was about 0.0001 in comparison to TCDD. In spite of this molecular effects, the rapid elimination both in vitro and in vivo argues against a consideration of a TCDD equivalency factor for TCTA. (C) 1998 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0045-6535(97)10227-2

文献信息

• Synthesis and structure of bis(mercapto)cobalt(III) porphyrins. Models for the active site of cytochromes P 450
  作者：P. Doppelt、J. Fischer、R. Weiss

  DOI：10.1021/ja00330a025

  日期：1984.9

  Etude des structures cristallines du derive tetrafluoro-2,3,5,6 benzenethiolate [Co(SC 6 HF 4 ) 2 (TPP)] [Na⊂222]•C 6 H 5 Cl et de [Co(SC 6 HF 4 ) 2 (TPP)] [Na⊂222]•1/2C 6 H 5 Cl. Coordination octaedrique autour de Co dans les deux complexes. Discussion de l'effet de la conformation de la porphyrine sur les distances Co-Np et description de l'orientation et de la structure des coordinats axiaux

  衍生四氟-2,3,5,6 苯硫醇[Co(SC 6 HF 4 ) 2 (TPP)] [Na⊂222]•C 6 H 5 Cl et de [Co(SC 6 HF 4 ) 2 (TPP)] [Na⊂222]•1/2C 6 H 5 Cl。协调octaedrique autour de Co dans les deux complexes。讨论 de l'effet de la conformation de la porphyrine sur les distances Co-Np et description de l'orientation et de la structure des coordinats axiaux
• Kukalenko,S.S., Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, p. 682 - 685
  作者：Kukalenko,S.S.

  DOI：——

  日期：——
• van Zwieten,P.A.; Huisman,H.O., Recueil des Travaux Chimiques des Pays-Bas, 1962, vol. 81, p. 554 - 564
  作者：van Zwieten,P.A.、Huisman,H.O.

  DOI：——

  日期：——
• US4160846A
  申请人：——

  公开号：US4160846A

  公开（公告）日：1979-07-10
• US4260552A
  申请人：——

  公开号：US4260552A

  公开（公告）日：1981-04-07