({2-Oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]ethyl}sulfanyl)acetic acid
[CAS# 681136-34-5]

Identification

• Name: ({2-Oxo-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]ethyl}sulfanyl)acetic acid
• Synonyms: 2-({2-OXO-2-[4-(3-PHENYL-1,2,4-THIADIAZOL-5-YL)PIPERAZINO]ETHYL}THIO)ACETICACID; Maybridge1_003992
• Molecular Formula: C₁₆H₁₈N₄O₃S₂
• Molecular Weight: 378.47
• CAS Registry Number: 681136-34-5
• SMILES: O=C(O)CSCC(=O)N3CCN(c1nc(ns1)c2ccccc2)CC3
• InChI: 1S/C16H18N4O3S2/c21-13(10-24-11-14(22)23)19-6-8-20(9-7-19)16-17-15(18-25-16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,22,23)
• InChIKey: DVKDYVRHRUNVAO-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 634.814°C at 760 mmHg (Cal.)
• Flash point: 337.724°C (Cal.)
• Refractive index: 1.649 (Cal.)