3-[(4-Chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-ylamine 3-[(4-氯苄基)磺酰基]-1H-1,2,4-三唑-5-基胺

CAS 41266-78-8 MFCD00215048

化学结构图

41266-78-8
SMILES: NC1NN=C(N=1)SCC1=CC=C(Cl)C=C1

化学属性

Mol. FormulaC9H9ClN4S
Mol. Weight240.71
Melting Point149-151°

别名和识别编码

Chemical Name3-[(4-Chlorobenzyl)sulfanyl]-1H-1,2,4-triazol -5-yl amine
CAS Number41266-78-8
Alfabeta NameCHLOROBENZYLSULFANYLTRIAZOLYLAMINE H3411245[]()-------,,
MDL NumberMFCD00215048
Synonym 3-[(4-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-ylamine
PubChem Substance ID329790282
Chemical Name Translation3-[(4-氯苄基)磺酰基]-1H-1,2,4-三唑-5-基胺
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分类

  • {KO} AminesSecondaryHeteroNH
  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Triazoles
  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
WGK Germany3

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
2
Rotatable Bonds
3
LogP
2

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. Halogenated Heterocycles 卤代杂环
  5. Triazoles - Halogenated Heterocycles

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