1,3-Bis(4-Methoxyphenyl)Thiourea
[CAS 1227-45-8]

Identification

• Name: 1,3-Bis(4-Methoxyphenyl)Thiourea
• Synonyms: Wln: 1Or Dmyus&Mr Do1; Thiourea, N,N'-Bis(4-Methoxyphenyl)-; Oprea1_160503
• Molecular Formula: C₁₅H₁₆N₂O₂S
• Molecular Weight: 288.36
• CAS Registry Number: 1227-45-8
• SMILES: C2=C(NC(NC1=CC=C(OC)C=C1)=S)C=CC(=C2)OC
• InChI: 1S/C15H16N2O2S/c1-18-13-7-3-11(4-8-13)16-15(20)17-12-5-9-14(19-2)10-6-12/h3-10H,1-2H3,(H2,16,17,20)
• InChIKey: RGRJEERVXALLTH-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 421.947°C at 760 mmHg (Cal.)
• Flash point: 208.986°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370