1-(Benzo[1,3]Dioxol-5-Ylmethylideneamino)-3-Octadecyl-Thiourea
[CAS# 6299-33-8]

Identification

• Name: 1-(Benzo[1,3]Dioxol-5-Ylmethylideneamino)-3-Octadecyl-Thiourea
• Synonyms: 3-(1,3-Benzodioxol-5-Ylmethyleneamino)-1-Octadecyl-Thiourea; 3-(1,3-Benzodioxol-5-Ylmethyleneamino)-1-Octadecylthiourea; 3-(1,3-Benzodioxol-5-Ylmethyleneamino)-1-Stearyl-Thiourea
• Molecular Formula: C₂₇H₄₅N₃O₂S
• Molecular Weight: 475.73
• CAS Registry Number: 6299-33-8
• SMILES: C1=C(/C=N/NC(=S)NCCCCCCCCCCCCCCCCCC)C=CC2=C1OCO2
• InChI: 1S/C27H45N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-27(33)30-29-22-24-18-19-25-26(21-24)32-23-31-25/h18-19,21-22H,2-17,20,23H2,1H3,(H2,28,30,33)/b29-22+
• InChIKey: VVRFTFNDFMVCQJ-QUPMIFSKSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 567.193°C at 760 mmHg (Cal.)
• Flash point: 296.828°C (Cal.)