2-Methyl-3,7-Dihydropurine-6-Thione
[CAS# 38917-31-6]

Identification

• Name: 2-Methyl-3,7-Dihydropurine-6-Thione
• Synonyms: 2-Methyl-6-Thiopurine; 6H-Purine-6-Thione, 1,7-Dihydro-2-Methyl-; Nsc76246
• Molecular Formula: C₆H₆N₄S
• Molecular Weight: 166.20
• CAS Registry Number: 38917-31-6
• SMILES: C1=NC2=C([NH]1)C(=S)N=C(N2)C
• InChI: 1S/C6H6N4S/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
• InChIKey: YWQVHMHIKOYWHQ-UHFFFAOYSA-N

Properties

• Density: 1.685g/cm³ (Cal.)
• Boiling point: 466.164°C at 760 mmHg (Cal.)
• Flash point: 235.728°C (Cal.)