2-[(4-Chlorophenyl)thio]nicotinamide

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)thio]nicotinamide
• CAS No.: 175135-82-7
• Molecular Formula: C12H9 Cl N2 O S
• Molecular Weight: 264.73
• DSSTox Substance ID: DTXSID30352382
• Wikidata: Q82129499
• ChEMBL ID: CHEMBL1459710
• Mol file: 175135-82-7.mol

Synonyms:2-[(4-chlorophenyl)thio]nicotinamide;175135-82-7;2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide;2-[(4-chlorophenyl)sulfanyl]nicotinamide;HMS546L08;Maybridge1_001834;Oprea1_769785;MLS000699637;CHEMBL1459710;DTXSID30352382;HMS2605K14;MFCD00052122;AKOS015912080;SMR000226631;FT-0610812;AI-204/31703025;W-206101

Chemical Property of 2-[(4-Chlorophenyl)thio]nicotinamide

Chemical Property:

• Vapor Pressure: 3.45E-09mmHg at 25°C
• Melting Point: 209 °C
• Boiling Point: 475°Cat760mmHg
• Flash Point: 241.1°C
• PSA: 81.28000
• Density: 1.42g/cm³
• LogP: 3.68540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.0124118
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4-Chlorophenyl)thio]nicotinamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)C(=O)N