[3,6-Dioxo-5-(Sulfanylmethyl)-2-Piperazinyl]Acetic Acid
[CAS# 397847-74-4]

Identification

• Name: [3,6-Dioxo-5-(Sulfanylmethyl)-2-Piperazinyl]Acetic Acid
• Synonyms: 2-(5-(mercaptomethyl)-3,6-dioxopiperazin-2-yl)acetic acid; 2-PIPERAZINEACETICACID, 5-(MERCAPTOMETHYL)-3,6-DIOXO-
• Molecular Formula: C₇H₁₀N₂O₄S
• Molecular Weight: 218.23
• CAS Registry Number: 397847-74-4
• SMILES: C(C1C(=O)NC(C(=O)N1)CS)C(=O)O
• InChI: 1S/C7H10N2O4S/c10-5(11)1-3-6(12)9-4(2-14)7(13)8-3/h3-4,14H,1-2H2,(H,8,13)(H,9,12)(H,10,11)
• InChIKey: PKBBQBIFVUJIRY-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 719.173°C at 760 mmHg (Cal.)
• Flash point: 388.742°C (Cal.)
• Refractive index: 1.528 (Cal.)