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5-(4-(phenylsulfonyl)phenyl)-4-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazol-3(4H)-thione | 1361970-49-1

中文名称
——
中文别名
——
英文名称
5-(4-(phenylsulfonyl)phenyl)-4-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazol-3(4H)-thione
英文别名
3-[4-(benzenesulfonyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
5-(4-(phenylsulfonyl)phenyl)-4-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazol-3(4H)-thione化学式
CAS
1361970-49-1
化学式
C23H21N3O5S2
mdl
——
分子量
483.569
InChiKey
OIKKFLIFGAUERU-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.9
  • 重原子数:
    33
  • 可旋转键数:
    7
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.13
  • 拓扑面积:
    130
  • 氢给体数:
    1
  • 氢受体数:
    7

反应信息

  • 作为产物:
    描述:
    4-苯磺酰苯甲酸硫酸一水合肼 、 sodium hydroxide 作用下, 以 乙醇 为溶剂, 反应 5.0h, 生成 5-(4-(phenylsulfonyl)phenyl)-4-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazol-3(4H)-thione
    参考文献:
    名称:
    New heterocyclic compounds from 1,2,4-triazole and 1,3,4-thiadiazole class bearing diphenylsulfone moieties. Synthesis, characterization and antimicrobial activity evaluation
    摘要:
    Some new 5-(4-(4-X-phenylsulfonyl)phenyl)-4-(R)-2H-1,2,4-triazol-3(4H)-thiones 4a,b; 5a,b and 5-(4-(4-X-phenylsulfonyl)phenyl)-N-(R)-1,3,4-thiadiazol-2-amines 6a,b; 7a,b were obtained by cyclization of new N-1-[4-(4-X-phenylsulfonyl)benzoyl]-N-4-(R)-thiosemicarbazides 2a,b; 3a,b (X = H, Br). The 1,2,4-triazoles were synthesized by intramolecular cyclization of acylthiosemicarbazides, in basic media. On the other hand, 1,3,4-thiadiazoles were obtained from same acylthiosemicarbazides, in acidic media. These new intermediates from thiosemicarbazide class were afforded by the reaction of 4-(4-X-phenylsulfonyl)benzoic acids hydrazides (X = H, Br) la,b with 4-trifluoromethoxyphenyl or 3,4,5-trimethoxyphenyl isothiocyanate. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, MS and elemental analysis. All the new compounds were screened for their antimicrobial activity against some bacteria (Staphylococcus aureus ATCC 25923, Bacillus cereus ATCC 13061, Escherichia coli ATCC 25922, Enterobacter cloacae ATCC 49141, Acinetobacter baumannii ATCC 19606 and Pseudomonas aeruginosa ATCC 27853) and yeasts (Candida albicans ATCC 90028 and Candida parapsilosis ATCC 22019). (C) 2012 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2012.01.031
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文献信息

  • New heterocyclic compounds from 1,2,4-triazole and 1,3,4-thiadiazole class bearing diphenylsulfone moieties. Synthesis, characterization and antimicrobial activity evaluation
    作者:Stefania-Felicia Barbuceanu、Gabriel Saramet、Gabriela Laura Almajan、Constantin Draghici、Florica Barbuceanu、Gabriela Bancescu
    DOI:10.1016/j.ejmech.2012.01.031
    日期:2012.3
    Some new 5-(4-(4-X-phenylsulfonyl)phenyl)-4-(R)-2H-1,2,4-triazol-3(4H)-thiones 4a,b; 5a,b and 5-(4-(4-X-phenylsulfonyl)phenyl)-N-(R)-1,3,4-thiadiazol-2-amines 6a,b; 7a,b were obtained by cyclization of new N-1-[4-(4-X-phenylsulfonyl)benzoyl]-N-4-(R)-thiosemicarbazides 2a,b; 3a,b (X = H, Br). The 1,2,4-triazoles were synthesized by intramolecular cyclization of acylthiosemicarbazides, in basic media. On the other hand, 1,3,4-thiadiazoles were obtained from same acylthiosemicarbazides, in acidic media. These new intermediates from thiosemicarbazide class were afforded by the reaction of 4-(4-X-phenylsulfonyl)benzoic acids hydrazides (X = H, Br) la,b with 4-trifluoromethoxyphenyl or 3,4,5-trimethoxyphenyl isothiocyanate. The newly synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, MS and elemental analysis. All the new compounds were screened for their antimicrobial activity against some bacteria (Staphylococcus aureus ATCC 25923, Bacillus cereus ATCC 13061, Escherichia coli ATCC 25922, Enterobacter cloacae ATCC 49141, Acinetobacter baumannii ATCC 19606 and Pseudomonas aeruginosa ATCC 27853) and yeasts (Candida albicans ATCC 90028 and Candida parapsilosis ATCC 22019). (C) 2012 Elsevier Masson SAS. All rights reserved.
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同类化合物

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