3,7-Dihydro-3,7-Dimethyl-6H-Purine-6-Thione
[CAS# 5759-60-4]

Identification

• Name: 3,7-Dihydro-3,7-Dimethyl-6H-Purine-6-Thione
• Synonyms: 2-(2-Methylphenoxy)Acetic Acid [[1-Amino-2-(4-Chlorophenyl)Ethylidene]Amino] Ester; [[1-Amino-2-(4-Chlorophenyl)Ethylidene]Amino] 2-(2-Methylphenoxy)Ethanoate; Bim-0032703.P001
• Molecular Formula: C₁₇H₁₇ClN₂O₃
• Molecular Weight: 332.79
• CAS Registry Number: 5759-60-4
• SMILES: C2=C(C/C(=N/OC(=O)COC1=C(C=CC=C1)C)N)C=CC(=C2)Cl
• InChI: 1S/C17H17ClN2O3/c1-12-4-2-3-5-15(12)22-11-17(21)23-20-16(19)10-13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H2,19,20)
• InChIKey: YSBMZEWRLALNAE-UHFFFAOYSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 491.217°C at 760 mmHg (Cal.)
• Flash point: 250.879°C (Cal.)