5-(4-Chlorophenyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol 5-(4-氯苯基)-4-甲基-4H-1,2,4-三唑-3-硫醇

CAS 29527-27-3 MFCD01761095

化学结构图

29527-27-3
SMILES: CN1C(S)=NN=C1C1C=CC(Cl)=CC=1

化学属性

Mol. FormulaC9H8ClN3S
Mol. Weight225.71

别名和识别编码

Chemical Name5-(4-Chlorophenyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
CAS Number29527-27-3
Alfabeta NameCHLOROPHENYLMETHYLTRIAZOLYLHYDROSULFIDE H54441243()---------,,
MDL NumberMFCD01761095
Synonym 5-(p-Chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Name Translation5-(4-氯苯基)-4-甲基-4H-1,2,4-三唑-3-硫醇
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分类

  • {KO} Thiols

安全信息

Warnings IRRITANT
RTECSXZ5270915 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 31,1253,1988

药物吸收、分布、代谢与排泄(ADME)

H-bond Donors
1
Lipinski's Rule of 3
Y
H-bond Acceptors
2
Lipinski's Rule of 5
Y
LogP
3
Rotatable Bonds
1

系列性分类

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