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

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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 Structure CAS#: 101516-99-8, 1-Carbobutylmethyl-3-Vanillyl-2-Thiourea
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.)
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