1-(4-Methoxyphenyl)-2,5-Dioxo-3-Pyrrolidinyl N-(4-Methoxyphenyl)-N'-(2-Phenylethyl)Carbamimidothioate
[CAS# 5850-95-3]

Identification

• Name: 1-(4-Methoxyphenyl)-2,5-Dioxo-3-Pyrrolidinyl N-(4-Methoxyphenyl)-N'-(2-Phenylethyl)Carbamimidothioate
• Synonyms: 1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl N'-(4-methoxyphenyl)-N-(2-phenylethyl)imidothiocarbamate
• Molecular Formula: C₂₇H₂₇N₃O₄S
• Molecular Weight: 489.59
• CAS Registry Number: 5850-95-3
• SMILES: O=C4N(c1ccc(OC)cc1)C(=O)C(S/C(=N/CCc2ccccc2)Nc3ccc(OC)cc3)C4
• InChI: 1S/C27H27N3O4S/c1-33-22-12-8-20(9-13-22)29-27(28-17-16-19-6-4-3-5-7-19)35-24-18-25(31)30(26(24)32)21-10-14-23(34-2)15-11-21/h3-15,24H,16-18H2,1-2H3,(H,28,29)
• InChIKey: BAHMQSJQFHYUAE-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 726.763°C at 760 mmHg (Cal.)
• Flash point: 393.332°C (Cal.)