N,N'-Bis[4-(3-Methylbutoxy)Phenyl]-Thiourea
[CAS# 910-86-1]

Identification

• Classification: Chemical reagent >> Organic reagent >> Thiourea
• Name: N,N'-Bis[4-(3-Methylbutoxy)Phenyl]-Thiourea
• Synonyms: 1,3-Bis(4-Isopentyloxyphenyl)Thiourea; 1,3-Bis(4-Isoamoxyphenyl)Thiourea; Tiocarlide [Dcf:Inn]
• Molecular Formula: C₂₃H₃₂N₂O₂S
• Molecular Weight: 400.58
• CAS Registry Number: 910-86-1
• EINECS: 213-006-5
• SMILES: C1=CC(=CC=C1NC(NC2=CC=C(OCCC(C)C)C=C2)=S)OCCC(C)C
• InChI: 1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)
• InChIKey: BWBONKHPVHMQHE-UHFFFAOYSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 508.517°C at 760 mmHg (Cal.)
• Flash point: 261.342°C (Cal.)

References

• (1): Liav Avraham, Angala Shiva K., Brennan Patrick J., Jackson Mary. N-d-Aldopentofuranosyl-N′-[p-(isoamyloxy)phenyl]-thiourea derivatives: Potential anti-TB therapeutic agents, Bioorganic & Medicinal Chemistry Letters, 2008