9-(1,4-Dihydroxy-2-butanyl)-6-thioxo-6,9-dihydro-3H-purin-9-ium chloride
[CAS# 70661-73-3]

Identification

• Name: 9-(1,4-Dihydroxy-2-butanyl)-6-thioxo-6,9-dihydro-3H-purin-9-ium chloride
• Synonyms: 1,4-Butanediol, 2-(6-mercapto-9-purinyl)-, hydrochloride; 2-(6-Mercapto-9-purinyl)-1,4-butanediol hydrochloride; 2-(6-Mercaptopurinyl-9)-1,4-butanediol hydrochloride
• Molecular Formula: C₉H₁₃ClN₄O₂S
• Molecular Weight: 276.74
• CAS Registry Number: 70661-73-3
• SMILES: [Cl-].S=C2/N=C\Nc1c2nc[n+]1C(CCO)CO
• InChI: 1S/C9H12N4O2S.ClH/c14-2-1-6(3-15)13-5-12-7-8(13)10-4-11-9(7)16;/h4-6,14-15H,1-3H2,(H,10,11,16);1H
• InChIKey: UEAKBWYPXWVVPQ-UHFFFAOYSA-N

Properties

• Boiling point: 579.4°C at 760 mmHg (Cal.)
• Flash point: 304.2°C (Cal.)