ChemicalBook--->CAS DataBase List--->26028-65-9

26028-65-9

26028-65-9 Structure

26028-65-9 Structure
IdentificationBack Directory
[Name]

5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR&
[CAS]

26028-65-9
[Synonyms]

Chlorophenyltriazolethiol
5-(p-chlorophenyl)-s-triazole-3-thio
5-(p-chlorophenyl)-s-triazole-3-thiol
s-Triazole-3-thiol, 5-(p-chlorophenyl)-
5-(4-CHLOROPHENYL)-2 4-DIHYDRO-1 2 4-TR&
3-(4-Chlorophenyl)-1,2,4-triazole-5-thiol
3-Mercapto-5-(p-chloro-phenyl)-s-triazole
5-(p-Chlorophenyl)-1,2,4-triazole-3-thiol
5-(4-Chloro-phenyl)-1H-[1,2,4]triazole-3-thiol
4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-
5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thiol
5-(4-chloro-phenyl)-1,2-dihydro-[1,2,4]triazole-3-thione
3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-1,2-dihydro-
5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione 97%
5-(4-Chlorophenyl)-2,4-dihydro-[1,2,4]-triazole-3-thione
[Molecular Formula]

C8H6ClN3S
[MDL Number]

MFCD00174362
[MOL File]

26028-65-9.mol
[Molecular Weight]

211.67
Chemical PropertiesBack Directory
[Melting point ]

295-299 °C(lit.)
[Boiling point ]

296.8±42.0 °C(Predicted)
[density ]

1.55±0.1 g/cm3(Predicted)
[form ]

solid
[pka]

8.21±0.20(Predicted)
[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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[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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