(S)-2-Amino-N-(4-Methyl-2-Oxo-2H-1-Benzopyran-7-Yl)-3-[(Phenylmethyl)Thio]-Propanamide
[CAS# 80173-27-9]

Identification

• Name: (S)-2-Amino-N-(4-Methyl-2-Oxo-2H-1-Benzopyran-7-Yl)-3-[(Phenylmethyl)Thio]-Propanamide
• Synonyms: (2S)-2-Amino-N-(4-Methyl-2-Oxo-Chromen-7-Yl)-3-(Phenylmethylsulfanyl)Propanamide; (2S)-2-Amino-N-(4-Methyl-2-Oxo-7-Chromenyl)-3-(Phenylmethylthio)Propanamide; (2S)-2-Amino-3-(Benzylthio)-N-(2-Keto-4-Methyl-Chromen-7-Yl)Propionamide
• Molecular Formula: C₂₀H₂₀N₂O₃S
• Molecular Weight: 368.45
• CAS Registry Number: 80173-27-9
• SMILES: [C@H](C(=O)NC2=CC=C1C(=CC(OC1=C2)=O)C)(CSCC3=CC=CC=C3)N
• InChI: 1S/C20H20N2O3S/c1-13-9-19(23)25-18-10-15(7-8-16(13)18)22-20(24)17(21)12-26-11-14-5-3-2-4-6-14/h2-10,17H,11-12,21H2,1H3,(H,22,24)/t17-/m1/s1
• InChIKey: WSBODWFAIQZWSU-QGZVFWFLSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 618.879°C at 760 mmHg (Cal.)
• Flash point: 328.086°C (Cal.)