2-Methyl-2-propanyl 2-carbamothioyl-4-phenyl-1-pyrrolidinecarboxylate
[CAS# 885277-70-3]

Identification

• Name: 2-Methyl-2-propanyl 2-carbamothioyl-4-phenyl-1-pyrrolidinecarboxylate
• Synonyms: 1-BOC-4-PHENYL-PYRROLIDINE-2-CARBOTHIOICACIDAMIDE; 1-Pyrrolidinecarboxylic acid, 2-(aminothioxomethyl)-4-phenyl-, 1,1-dimethylethyl ester; 1-PYRROLIDINECARBOXYLICACID, 2-(AMINOTHIOXOMETHYL)-4-PHENYL-, 1,1-DIMETHYLETHYL ESTER
• Molecular Formula: C₁₆H₂₂N₂O₂S
• Molecular Weight: 306.42
• CAS Registry Number: 885277-70-3
• SMILES: CC(C)(C)OC(=O)N1CC(CC1C(=S)N)c2ccccc2
• InChI: 1S/C16H22N2O2S/c1-16(2,3)20-15(19)18-10-12(9-13(18)14(17)21)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H2,17,21)
• InChIKey: BHPWNHCGNFMQBR-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 442.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 221.6±31.5°C (Cal.)
• Refractive index: 1.588 (Cal.)