1-{4-[(2-Aminophenyl)thio]-3-nitrophenyl}ethan-1-one

Base Information

• Chemical Name: 1-{4-[(2-Aminophenyl)thio]-3-nitrophenyl}ethan-1-one
• CAS No.: 63979-90-8
• Molecular Formula: C14H12 N2 O3 S
• Molecular Weight: 288.3217
• DSSTox Substance ID: DTXSID00981567
• Nikkaji Number: J90.653K
• Wikidata: Q82967949
• ChEMBL ID: CHEMBL1576434
• Mol file: 63979-90-8.mol

Synonyms:1-{4-[(2-aminophenyl)thio]-3-nitrophenyl}ethan-1-one;63979-90-8;1-[4-(2-aminophenyl)sulfanyl-3-nitrophenyl]ethanone;2-Nitro-4-acetyl-2'-aminodiphenyl sulfide;Aniline, 2-(4'-acetyl-2'-nitro)phenylthio-;Phenyl sulfide, 4-acetyl-2'-amino-2-nitro-;Sulfide, (4-acetyl-2-nitro)phenyl 2'-aminophenyl;Maybridge1_004289;MLS000859037;CHEMBL1576434;HMS553K23;DTXSID00981567;HMS2783G21;NCGC00246680-01;SMR000459216;1-{4-[(2-Aminophenyl)sulfanyl]-3-nitrophenyl}ethan-1-one

Chemical Property of 1-{4-[(2-Aminophenyl)thio]-3-nitrophenyl}ethan-1-one

Chemical Property:

• Vapor Pressure: 1.9E-07mmHg at 25°C
• Boiling Point: 425.6°Cat760mmHg
• Flash Point: 211.2°C
• Density: 1.38g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 288.05686342
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2N)[N+](=O)[O-]