S-(6-Purinyl)Homocysteine
[CAS# 136040-01-2]

Identification

• Name: S-(6-Purinyl)Homocysteine
• Synonyms: (2S)-2-Amino-4-(7H-Purin-6-Ylthio)Butanoic Acid; (2S)-2-Amino-4-(7H-Purin-6-Ylthio)Butyric Acid; S-(6-Purinyl)Homocysteine
• Molecular Formula: C₉H₁₁N₅O₂S
• Molecular Weight: 253.28
• CAS Registry Number: 136040-01-2
• SMILES: [C@H](N)(CCSC1=NC=NC2=C1[NH]C=N2)C(O)=O
• InChI: 1S/C9H11N5O2S/c10-5(9(15)16)1-2-17-8-6-7(12-3-11-6)13-4-14-8/h3-5H,1-2,10H2,(H,15,16)(H,11,12,13,14)/t5-/m0/s1
• InChIKey: ZIJLTJOOMWRTOD-YFKPBYRVSA-N

Properties

• Density: 1.573g/cm³ (Cal.)
• Boiling point: 630.747°C at 760 mmHg (Cal.)
• Flash point: 335.264°C (Cal.)