2-(4-Chlorophenylthio)pyridine-5-carbonitrile

Base Information

• Chemical Name: 2-(4-Chlorophenylthio)pyridine-5-carbonitrile
• CAS No.: 259683-22-2
• Molecular Formula: C12H7ClN2S
• Molecular Weight: 246.71500
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID90370961
• Wikidata: Q82158156
• Mol file: 259683-22-2.mol

Synonyms:259683-22-2;2-(4-Chlorophenylthio)pyridine-5-carbonitrile;6-[(4-CHLOROPHENYL)THIO]NICOTINONITRILE;6-(4-chlorophenyl)sulfanylpyridine-3-carbonitrile;3-Pyridinecarbonitrile, 6-[(4-chlorophenyl)thio]-;Maybridge4_004078;6-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonitrile;SCHEMBL3041364;DTXSID90370961;HMS1532J08;6-(4-chlorophenylthio)nicotinonitrile;AKOS000213503;IDI1_032900;FT-0620884;BRD-K44087626-001-01-2

Chemical Property of 2-(4-Chlorophenylthio)pyridine-5-carbonitrile

Chemical Property:

• Vapor Pressure: 5.6E-08mmHg at 25°C
• Boiling Point: 441.1oC at 760 mmHg
• Flash Point: 220.6oC
• PSA: 61.98000
• Density: 1.38g/cm3
• LogP: 3.75788
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.0018471
• Heavy Atom Count: 16
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

6-[(4-CHLOROPHENYL)THIO]NICOTINONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=NC=C(C=C2)C#N)Cl