N-(O-Nitrophenylthio)-L-Isoleucine
[CAS# 7690-79-1]

Identification

• Name: N-(O-Nitrophenylthio)-L-Isoleucine
• Synonyms: (2S,3S)-3-Methyl-2-[[(2-Nitrophenyl)Thio]Amino]Pentanoic Acid; (2S,3S)-3-Methyl-2-[[(2-Nitrophenyl)Thio]Amino]Valeric Acid
• Molecular Formula: C₁₂H₁₆N₂O₄S
• Molecular Weight: 284.33
• CAS Registry Number: 7690-79-1
• EINECS: 231-700-6
• SMILES: [C@@H](NSC1=C([N+]([O-])=O)C=CC=C1)(C(=O)O)[C@H](CC)C
• InChI: 1S/C12H16N2O4S/c1-3-8(2)11(12(15)16)13-19-10-7-5-4-6-9(10)14(17)18/h4-8,11,13H,3H2,1-2H3,(H,15,16)/t8-,11-/m0/s1
• InChIKey: UFHDHBSNSXORPU-KWQFWETISA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 450.255°C at 760 mmHg (Cal.)
• Flash point: 226.107°C (Cal.)