3-[(2,6-dichlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine

CAS 261928-97-6 MFCD00138373

化学结构图

261928-97-6
SMILES: NC1NN=C(N=1)SCC1C(Cl)=CC=CC=1Cl

化学属性

Mol. FormulaC9H8Cl2N4S
Mol. Weight275.16
Melting Point124°

别名和识别编码

Chemical Name3-[(2,6-Dichlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
Alfabeta NameDICHLOROBENZYLSULFANYLTRIAZOLAMINE H32611245[]()-------,,,
MDL NumberMFCD00138373
CAS Number261928-97-6
Synonym 3-[(2,6-Dichlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-amine
Chemical Name Translation
PubChem Substance ID329787655
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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
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

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
3

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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