9H-Purine-6-sulfenic acid
[CAS# 86335-59-3]

Identification

• Name: 9H-Purine-6-sulfenic acid
• Synonyms: 6-Hydroxysulfanyl-9H-purine; InChI=1/C5H4N4OS/c10-11-5-3-4(7-1-6-3)8-2-9-5/h1-2,10H,(H,6,7,8,9)/f/h6H; purine-6-sulfenic acid
• Molecular Formula: C₅H₄N₄OS
• Molecular Weight: 168.18
• CAS Registry Number: 86335-59-3
• SMILES: C1=NC2=NC=NC2=C(N1)SO
• InChI: 1S/C5H4N4OS/c10-11-5-3-4(7-1-6-3)8-2-9-5/h1-2,10H,(H,6,7,8,9)
• InChIKey: FRLDGEVJADJNOZ-UHFFFAOYSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 337.1±52.0°C at 760 mmHg (Cal.)
• Flash point: 157.7±30.7°C (Cal.)