1-Carbobutylmethyl-3-Vanillyl-2-Thiourea
[CAS# 101516-99-8]

Identification

• Name: 1-Carbobutylmethyl-3-Vanillyl-2-Thiourea
• Synonyms: Butyl 2-[(4-Hydroxy-3-Methoxy-Phenyl)Methylcarbamothioylamino]Acetate; 2-[[[(4-Hydroxy-3-Methoxyphenyl)Methylamino]-Thioxomethyl]Amino]Acetic Acid Butyl Ester; 2-[(4-Hydroxy-3-Methoxy-Benzyl)Thiocarbamoylamino]Acetic Acid Butyl Ester
• Molecular Formula: C₁₅H₂₂N₂O₄S
• Molecular Weight: 326.41
• CAS Registry Number: 101516-99-8
• SMILES: C1=C(C(=CC=C1CNC(NCC(=O)OCCCC)=S)O)OC
• InChI: 1S/C15H22N2O4S/c1-3-4-7-21-14(19)10-17-15(22)16-9-11-5-6-12(18)13(8-11)20-2/h5-6,8,18H,3-4,7,9-10H2,1-2H3,(H2,16,17,22)
• InChIKey: COVOCBUNANFHCK-UHFFFAOYSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 475.279°C at 760 mmHg (Cal.)
• Flash point: 241.24°C (Cal.)