(2R)-2-Acetamido-3-(3-Methyl-1,4-Dioxonaphthalen-2-Yl)Sulfanylpropanoic Acid
[CAS# 39484-05-4]

Identification

• Name: (2R)-2-Acetamido-3-(3-Methyl-1,4-Dioxonaphthalen-2-Yl)Sulfanylpropanoic Acid
• Synonyms: (2R)-2-Acetamido-3-[(3-Methyl-1,4-Dioxo-2-Naphthyl)Sulfanyl]Propanoic Acid; (2R)-2-Acetamido-3-[(3-Methyl-1,4-Dioxo-2-Naphthyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(1,4-Diketo-3-Methyl-2-Naphthyl)Thio]Propionic Acid
• Molecular Formula: C₁₆H₁₅NO₅S
• Molecular Weight: 333.36
• CAS Registry Number: 39484-05-4
• SMILES: [C@H](C(=O)O)(NC(=O)C)CSC1=C(C(C2=C(C1=O)C=CC=C2)=O)C
• InChI: 1S/C16H15NO5S/c1-8-13(19)10-5-3-4-6-11(10)14(20)15(8)23-7-12(16(21)22)17-9(2)18/h3-6,12H,7H2,1-2H3,(H,17,18)(H,21,22)/t12-/m0/s1
• InChIKey: CZCOZSQOAXORPX-LBPRGKRZSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 615.391°C at 760 mmHg (Cal.)
• Flash point: 325.977°C (Cal.)