2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinethiol

Base Information

• Chemical Name: 2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinethiol
• CAS No.: 338418-16-9
• Molecular Formula: C10H6F3N3S
• Molecular Weight: 257.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90379474
• Wikidata: Q82169305
• Mol file: 338418-16-9.mol

Synonyms:338418-16-9;2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinethiol;2-pyridin-2-yl-6-(trifluoromethyl)-1H-pyrimidine-4-thione;2-(Pyridin-2-yl)-6-(trifluoromethyl)pyrimidine-4(3H)-thione;2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine-4-thiol;DTXSID90379474;MFCD00139802;AKOS005070338;4E-321S;CS-0364753;J-506578

Chemical Property of 2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinethiol

Chemical Property:

• Melting Point: 145-148°C
• Boiling Point: 296.8±50.0 °C(Predicted)
• PKA: -1.05±0.19(Predicted)
• PSA: 77.47000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 2.84610
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 257.02345286
• Heavy Atom Count: 17
• Complexity: 387

Purity/Quality:

98%min ^*data from raw suppliers

2-(Pyridin-2-yl)-4-thio-6-(trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)C2=NC(=S)C=C(N2)C(F)(F)F