2-[(2,5-Dimethyl-Furan-3-Carbonyl)-Amino]-4-Methylsulfanyl-Butyric Acid
[CAS# 318466-02-3]

Identification

• Name: 2-[(2,5-Dimethyl-Furan-3-Carbonyl)-Amino]-4-Methylsulfanyl-Butyric Acid
• Synonyms: (2S)-2-[(2,5-Dimethylfuran-3-Carbonyl)Amino]-4-Methylsulfanyl-Butanoate; (2S)-2-[[(2,5-Dimethyl-3-Furyl)-Oxomethyl]Amino]-4-(Methylthio)Butanoate; (2S)-2-[(2,5-Dimethylfuran-3-Carbonyl)Amino]-4-(Methylthio)Butyrate
• Molecular Formula: C₁₂H₁₆NO₄S
• Molecular Weight: 270.32
• CAS Registry Number: 318466-02-3
• SMILES: [C@H](NC(=O)C1=C(OC(=C1)C)C)(CCSC)C([O-])=O
• InChI: 1S/C12H17NO4S/c1-7-6-9(8(2)17-7)11(14)13-10(12(15)16)4-5-18-3/h6,10H,4-5H2,1-3H3,(H,13,14)(H,15,16)/p-1/t10-/m0/s1
• InChIKey: JDNKBRXLSMAACT-JTQLQIEISA-M

Properties

• Boiling point: 451.189°C at 760 mmHg (Cal.)
• Flash point: 226.671°C (Cal.)