Ethyl N-benzyl-N-(phenylcarbamothioyl)-beta-alaninate
[CAS# 86727-07-3]

Identification

• Name: Ethyl N-benzyl-N-(phenylcarbamothioyl)-beta-alaninate
• Synonyms: b-alanine, N-[(phenylamino)thioxomethyl]-N-(phenylmethyl)-, ethyl ester; ethyl N-(anilinocarbonothioyl)-N-benzyl-b-alaninate; NSC50192
• Molecular Formula: C₁₉H₂₂N₂O₂S
• Molecular Weight: 342.46
• CAS Registry Number: 86727-07-3
• SMILES: S=C(Nc1ccccc1)N(Cc2ccccc2)CCC(=O)OCC
• InChI: 1S/C19H22N2O2S/c1-2-23-18(22)13-14-21(15-16-9-5-3-6-10-16)19(24)20-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,20,24)
• InChIKey: ZVTHCWOEBMUPOP-UHFFFAOYSA-N

Properties

• Density: 1.204g/cm³ (Cal.)
• Boiling point: 472.831°C at 760 mmHg (Cal.)
• Flash point: 239.76°C (Cal.)