6-Acetyl-2-mercaptonicotinonitrile

Base Information

• Chemical Name: 6-Acetyl-2-mercaptonicotinonitrile
• CAS No.: 175277-42-6
• Molecular Formula: C8H6 N2 O S
• Molecular Weight: 178.21
• Hs Code.: 2933399090
• European Community (EC) Number: 692-307-7
• DSSTox Substance ID: DTXSID10372583
• Wikidata: Q82160371
• Mol file: 175277-42-6.mol

Synonyms:175277-42-6;6-acetyl-2-mercaptonicotinonitrile;6-Acetyl-2-mercapto-nicotinonitrile;6-acetyl-2-sulfanylpyridine-3-carbonitrile;6-acetyl-2-sulfanylidene-1H-pyridine-3-carbonitrile;6-acetyl-2-mercaptopyridine-3-carbonitrile;Maybridge1_008672;HMS566C04;SCHEMBL6050316;DTXSID10372583;MFCD00204161;AKOS006274695;AS-5497;CS-0315097;FT-0682740

Chemical Property of 6-Acetyl-2-mercaptonicotinonitrile

Chemical Property:

• Vapor Pressure: 0.00135mmHg at 25°C
• Melting Point: 210 °C
• Refractive Index: 1.63
• Boiling Point: 297.5°Cat760mmHg
• Flash Point: 133.7°C
• PSA: 92.55000
• Density: 1.34g/cm³
• LogP: 1.44458
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.02008399
• Heavy Atom Count: 12
• Complexity: 357

Purity/Quality:

98%min ^*data from raw suppliers

6-Acetyl-2-mercapto-nicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C(=S)N1)C#N