1-{6-[(4-Methylphenyl)sulfanyl]pyridin-3-yl}-3-phenylurea

Base Information

• Chemical Name: 1-{6-[(4-Methylphenyl)sulfanyl]pyridin-3-yl}-3-phenylurea
• CAS No.: 6450-28-8
• Molecular Formula: C12H12 N4 O5
• Molecular Weight: 335.4228
• DSSTox Substance ID: DTXSID40983065
• Wikidata: Q82969937

Synonyms:1-{6-[(4-methylphenyl)sulfanyl]pyridin-3-yl}-3-phenylurea;6450-28-8;1-[6-(4-methylphenyl)sulfanylpyridin-3-yl]-3-phenylurea;Oprea1_211040;DTXSID40983065;AJ-333/13050138;N-{6-[(4-methylphenyl)sulfanyl]-3-pyridinyl}-N'-phenylurea;N-{6-[(4-Methylphenyl)sulfanyl]pyridin-3-yl}-N'-phenylcarbamimidic acid

Chemical Property of 1-{6-[(4-Methylphenyl)sulfanyl]pyridin-3-yl}-3-phenylurea

Chemical Property:

• Vapor Pressure: 1.85E-08mmHg at 25°C
• Melting Point: 190 °C
• Boiling Point: 454.8°Cat760mmHg
• PKA: 10.00±0.20(Predicted)
• Flash Point: 228.9°C
• PSA: 124.50000
• Density: 1.28g/cm³
• LogP: 12.01550
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 335.10923335
• Heavy Atom Count: 24
• Complexity: 392

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=NC=C(C=C2)NC(=O)NC3=CC=CC=C3

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