O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate

Base Information

• Chemical Name: O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate
• CAS No.: 111093-27-7
• Molecular Formula: C22H18 N2 O5 S
• Molecular Weight: 422.45
• DSSTox Substance ID: DTXSID30149496
• Wikidata: Q83015281
• Mol file: 111093-27-7.mol

Synonyms:111093-27-7;O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate;Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester;[2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid;[[2-(2-benzoyl-4-nitro-phenyl)-4-ethoxy-phenyl]amino]methanethioic aci d;DTXSID30149496;OABZBKNMYFHBNZ-UHFFFAOYSA-N;LS-50827

Chemical Property of O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 140.02000
• Density: 1.337g/cm³
• LogP: 5.94940
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 422.09364285
• Heavy Atom Count: 30
• Complexity: 619

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=C(C=C1)NC(=O)S)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

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