1-(2,6-Diisopropylphenyl)-3-{4-[(4-Nitrophenyl)Sulfanyl]Phenyl}Urea
[CAS# 228544-65-8]

Identification

• Name: 1-(2,6-Diisopropylphenyl)-3-{4-[(4-Nitrophenyl)Sulfanyl]Phenyl}Urea
• Synonyms: [228544-65-8]; N-[2,6-bis(1-Methylethyl)phenyl]-N'-[4-[(4-nitrophenyl)thio]phenyl]urea; VULM 1457
• Molecular Formula: C₂₅H₂₇N₃O₃S
• Molecular Weight: 449.57
• CAS Registry Number: 228544-65-8
• SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]
• InChI: 1S/C25H27N3O3S/c1-16(2)22-6-5-7-23(17(3)4)24(22)27-25(29)26-18-8-12-20(13-9-18)32-21-14-10-19(11-15-21)28(30)31/h5-17H,1-4H3,(H2,26,27,29)
• InChIKey: XFFITGBWVLQNCD-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 535.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 277.4±30.1°C (Cal.)
• Refractive index: 1.64 (Cal.)
• solubility: Soluble to 100 mM in DMSO