benzyl (2S)-2-amino-4-methylsulfanyl-butanoate; 4-methylbenzenesulfonic acid
[CAS# 68739-90-2]

Identification

• Name: benzyl (2S)-2-amino-4-methylsulfanyl-butanoate; 4-methylbenzenesulfonic acid
• Synonyms: O-benzyl-L-methionine toluene-p-sulphonate
• Molecular Formula: C₁₉H₂₅NO₅S₂
• Molecular Weight: 411.54
• CAS Registry Number: 68739-90-2
• EINECS: 272-130-8
• SMILES: OS(=O)(=O)c1ccc(C)cc1.CSCC[C@H](N)C(=O)OCc1ccccc1
• InChI: 1S/C12H17NO2S.C7H8O3S/c1-16-8-7-11(13)12(14)15-9-10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11H,7-9,13H2,1H3;2-5H,1H3,(H,8,9,10)/t11-;/m0./s1
• InChIKey: HVNFDGNZVKCCTM-MERQFXBCSA-N

Properties

• Boiling point: 598°C at 760 mmHg (Cal.)
• Flash point: 315.5°C (Cal.)