3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]-2,5-piperazinedione
[CAS# 677021-07-7]

Identification

• Name: 3-(Hydroxymethyl)-6-[2-(methylsulfanyl)ethyl]-2,5-piperazinedione
• Synonyms: 3-(hydroxymethyl)-6-(2-(methylthio)ethyl)piperazine-2,5-dione
• Molecular Formula: C₈H₁₄N₂O₃S
• Molecular Weight: 218.27
• CAS Registry Number: 677021-07-7
• SMILES: O=C1NC(C(=O)NC1CCSC)CO
• InChI: 1S/C8H14N2O3S/c1-14-3-2-5-7(12)10-6(4-11)8(13)9-5/h5-6,11H,2-4H2,1H3,(H,9,13)(H,10,12)
• InChIKey: JOPNRSQAOCANMK-UHFFFAOYSA-N

Properties

• Density: 1.225g/cm³ (Cal.)
• Boiling point: 584.903°C at 760 mmHg (Cal.)
• Flash point: 307.538°C (Cal.)
• Refractive index: 1.514 (Cal.)