8-(Ethylthio)-3,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(6H)-One
[CAS# 4791-35-9]

Identification

• Name: 8-(Ethylthio)-3,7-Dihydro-1,3-Dimethyl-6-Thioxo-1H-Purin-2(6H)-One
• Synonyms: 8-Ethylsulfanyl-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 8-(Ethylthio)-1,3-Dimethyl-6-Thioxo-7H-Purin-2-One; 2H-Purin-2-One, 8-(Ethylthio)-1,3,6,7-Tetrahydro-3,7-Dimethyl-6-Thioxo-
• Molecular Formula: C₉H₁₂N₄OS₂
• Molecular Weight: 256.34
• CAS Registry Number: 4791-35-9
• SMILES: C(SC2=NC1=C(C(N(C)C(N1C)=O)=S)[NH]2)C
• InChI: 1S/C9H12N4OS2/c1-4-16-8-10-5-6(11-8)12(2)9(14)13(3)7(5)15/h4H2,1-3H3,(H,10,11)
• InChIKey: NNACXOPYOMXSRW-UHFFFAOYSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 467.581°C at 760 mmHg (Cal.)
• Flash point: 236.585°C (Cal.)