4-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol 4-(5-巯基-4H-1,2,4-三唑-3-基)苯酚

CAS 3414-96-8 MFCD01750667

化学结构图

3414-96-8
SMILES: Oc1ccc(-c2nc(=S)[nH][nH]2)cc1

化学属性

Mol. FormulaC8H7N3OS
Mol. Weight193.23

别名和识别编码

Chemical Name4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol
Wiswesser Line NotationT5MN DNJ CSH ER DQ &QH
Synonym 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol Phenol, 4-(3-mercapto-5-(1H-1,2,4-triazolyl))-, hydrate {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)phenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(5-Mercapto-4H-1,2,4-triazol-3-yl)
CAS Number3414-96-8
LabNetwork Molecule IDLN00177269
InChIKeyGHQAENHMNKYJGV-UHFFFAOYSA-N
Chemical Name Translation4-(5-巯基-4H-1,2,4-三唑-3-基)苯酚
PubChem Substance ID689100
InChIInChI=1S/C8H7N3OS/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13)
MDL NumberMFCD01930057
Canonical SMILESOC1=CC=C(C=C1)C1=NNC(=S)N1
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安全信息

RTECSXZ5273000 
TYPE OF TEST            : LD05 - Lethal Dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 38 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: 9,42,1966

Storage condition

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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