(2S,3S)-3-Methyl-2-(3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Pentanoic Acid
[CAS# 177785-47-6]

Identification

• Name: (2S,3S)-3-Methyl-2-(3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Pentanoic Acid
• Synonyms: 3(S)-Methyl-2(S)-(1-oxo(3-thiaisoindolin-2-yl))pentanoic acid; PD161374; AIDS031904
• Molecular Formula: C₁₃H₁₅NO₃S
• Molecular Weight: 265.33
• CAS Registry Number: 177785-47-6
• SMILES: O=C(O)[C@@H](N2Sc1ccccc1C2=O)[C@@H](C)CC
• InChI: 1S/C13H15NO3S/c1-3-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18-14/h4-8,11H,3H2,1-2H3,(H,16,17)/t8-,11-/m0/s1
• InChIKey: FUSYFEXGXRDJNB-KWQFWETISA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 449.199°C at 760 mmHg (Cal.)
• Flash point: 225.468°C (Cal.)
• Refractive index: 1.613 (Cal.)