4,5-Diphenyl-4H-1,2,4-triazole-3-thiol 4,5-二苯基-4H-1,2,4-三唑-3-硫醇

CAS 6596-82-3 MFCD00617763

化学结构图

6596-82-3
SMILES: Sc1nnc(-c2ccccc2)n1-c1ccccc1

化学属性

Mol. FormulaC14H11N3S
Mol. Weight253.32224
Melting Point287 °C
Boiling Point367.9±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name4,5-Diphenyl-4H-1,2,4-triazole-3-thiol
CAS Number6596-82-3
Alfabeta NameDIPHENYLTRIAZOLETHIOL H4541243------,,,
MDL NumberMFCD00617763
Chemical Name Translation4,5-二苯基-4H-1,2,4-三唑-3-硫醇
LabNetwork Molecule IDLN00123726
PubChem Substance ID677540
InChIInChI=1S/C14H11N3S/c18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1-10H,(H,16,18)
Synonym 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Diphenyl-4H-1,2,4-triazole-3-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5
Canonical SMILESSC1=NN=C(C2=CC=CC=C2)N1C3=CC=CC=C3
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分类

  • {KO} Thiols

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
2
H-bond Donors
1
LogP
4

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. 1,2,4-Triazole 1,2,4-三唑

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