2,4-Dihydro-4-Methyl-5-(4-Pyridinyl)-3H-1,2,4-Triazole-3-Thione 2,4-二氢-4-甲基-5-(4-吡啶基)-3H-1,2,4-三唑-3-硫酮

CAS 3652-32-2 MFCD00112607

化学结构图

3652-32-2
SMILES: Cn1c(S)nnc1-c1ccncc1

化学属性

Mol. FormulaC8H8N4S
Mol. Weight192.24
Melting Point287 °C
Boiling Point294.6±32.0 °C at 760 mmHg

别名和识别编码

Chemical Name2,4-Dihydro-4-Methyl-5-(4-Pyridinyl)-3H-1,2,4-Triazole-3-Thione
CAS Number3652-32-2
Alfabeta NameMETHYLPYRIDINYLTRIAZOLETHIOL H45441243[]---------,,
MDL NumberMFCD00112607
Chemical Name Translation2,4-二氢-4-甲基-5-(4-吡啶基)-3H-1,2,4-三唑-3-硫酮
Synonym 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-t
Wiswesser Line NotationT6NJ D- CT5NN DNJ D1 ESH
Beilstein Registry Number0612127
InChIKeyACDUEIIMRXEFHO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00122530
PubChem Substance ID738547
InChIInChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)
Canonical SMILESS=C1NN=C(C2=CC=NC=C2)N1C
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安全信息

Warnings IRRITANT
Hazard Codes Xi
RTECSUT4565000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1100 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: 8,676,1965

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • MOL 文件:3652-32-2.mol
  • Acros Organics:4-methyl-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol, 95%(3652-32-2)

系列性分类

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