5-(4-Methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol

Base Information

• Chemical Name: 5-(4-Methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol
• CAS No.: 500112-74-3
• Molecular Formula: C11H9 N3 S2
• Molecular Weight: 247.33900
• DSSTox Substance ID: DTXSID30368347
• Wikidata: Q82154814
• ChEMBL ID: CHEMBL1587985
• Mol file: 500112-74-3.mol

Synonyms:500112-74-3;5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol;MLS000056923;5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione;5-(p-tolyl)thiazolo[2,3-c][1,2,4]triazole-3-thiol;5-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thiol;SMR000066274;THIAZOLO[2,3-C]-1,2,4-TRIAZOLE-3(2H)-THIONE,5-(4-METHYLPHENYL)-;HMS2166G16;ST50134180;CHEMBL1587985;BDBM38589;cid_2383729;DTXSID30368347;HMS3353G12;MFCD06254379;STL307298;AKOS000805715;AKOS001056415;NCGC00040605-02;AS-71279;CS-0281289;VU0232235-4;EN300-237898;MLS-0030668.0001;SR-01000039409;SR-01000039409-1;F1408-0192;F9995-0403;5-(4-Methylphenyl)thiazolo[2,3-c]-1,2,4-triazole-3-thiol;5-(p-tolyl)-2H-thiazolo[2,3-c][1,2,4]triazole-3-thione;5-(4-methylphenyl)-2H-thiazolo[2,3-c][1,2,4]triazole-3-thione;5-(4-methylphenyl)-2H,3H-[1,2,4]triazolo[3,4-b][1,3]thiazole-3-thione;5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3(2H)-thione

Chemical Property of 5-(4-Methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol

Chemical Property:

• Melting Point: 194-195℃
• PSA: 97.23000
• LogP: 3.05490
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.02378965
• Heavy Atom Count: 16
• Complexity: 381

Purity/Quality:

99% ^*data from raw suppliers

5-(4-Methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CSC3=NNC(=S)N23
• Uses: 5-(4-Methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol is used as a reactant in the preparation of imidazothiazole derivatives as IDO1 inhibitors.