Basic information Safety Supplier Related

5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR&

Basic information Safety Supplier Related

5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR& Basic information

Product Name:
5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR&
Synonyms:
  • s-Triazole-3-thiol, 5-(p-chlorophenyl)-
  • 5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR&
  • 5-(p-chlorophenyl)-s-triazole-3-thio
  • 5-(p-chlorophenyl)-s-triazole-3-thiol
  • 3-(4-Chlorophenyl)-1,2,4-triazole-5-thiol
  • Chlorophenyltriazolethiol
  • 5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thiol
  • 5-(4-Chloro-phenyl)-1H-[1,2,4]triazole-3-thiol
CAS:
26028-65-9
MF:
C8H6ClN3S
MW:
211.67
Product Categories:
  • TriazolesBuilding Blocks
  • Halogenated Heterocycles
  • Heterocyclic Building Blocks
  • Triazoles
Mol File:
26028-65-9.mol
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5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR& Chemical Properties

Melting point:
295-299 °C(lit.)
Boiling point:
296.8±42.0 °C(Predicted)
Density 
1.55±0.1 g/cm3(Predicted)
pka
8.21±0.20(Predicted)
form 
solid
color 
White to light yellow
InChI
InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey
NHEHIODVWGKDFV-UHFFFAOYSA-N
SMILES
N1C(C2=CC=C(Cl)C=C2)=NC(=S)N1
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Safety Information

Safety Statements 
22-24/25
WGK Germany 
3
HazardClass 
IRRITANT
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5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR& Usage And Synthesis

Uses

DCN1-UBC12-IN-4 (compound 5p) is an inhibitor of DCN1-UBC12, with an IC50 greater than 10000 nM, and it exhibits anti-tumor activity[1].

Definition

ChEBI: 5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is a member of triazoles.

References

[1] Wenjuan Zhou, et al. Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction. Eur J Med Chem. 2021 May 5:217:113326. DOI:10.1016/j.ejmech.2021.113326

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