1,3-Bis(3-Pyridylmethyl)-2-Thiourea
[CAS# 6965-01-1]

Identification

• Classification: Chemical reagent >> Organic reagent >> Thiourea
• Name: 1,3-Bis(3-Pyridylmethyl)-2-Thiourea
• Synonyms: 1,3-Bis(3-Pyridylmethyl)Thiourea; 1,3-(Bis(3-Pyridylmethyl))Thiourea
• Molecular Formula: C₁₃H₁₄N₄S
• Molecular Weight: 258.34
• CAS Registry Number: 6965-01-1
• EINECS: 230-168-2
• SMILES: C2=C(CNC(NCC1=CN=CC=C1)=S)C=NC=C2
• InChI: 1S/C13H14N4S/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)
• InChIKey: KWZKQWNJGMWSDK-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 454.666°C at 760 mmHg (Cal.)
• Flash point: 228.774°C (Cal.)

References

• (1): C. S. Lai and E. R. T. Tiekink. 1,3-Bis(3-pyridylmethyl)-2-thiourea, Acta Cryst. (2002). E58, o538-o539