9-((1,3-Dihydroxy-2-Propylthio)Methyl)Guanine
[CAS# 97151-23-0]

Identification

• Name: 9-((1,3-Dihydroxy-2-Propylthio)Methyl)Guanine
• Synonyms: 2-Amino-9-[[2-Hydroxy-1-(Hydroxymethyl)Ethyl]Sulfanylmethyl]-3H-Purin-6-One; 2-Amino-9-[[[2-Hydroxy-1-(Hydroxymethyl)Ethyl]Thio]Methyl]-3H-Purin-6-One; 2-Amino-9-[[(2-Hydroxy-1-Methylol-Ethyl)Thio]Methyl]-3H-Purin-6-One
• Molecular Formula: C₉H₁₃N₅O₃S
• Molecular Weight: 271.29
• CAS Registry Number: 97151-23-0
• SMILES: C2=NC1=C(NC(=NC1=O)N)[N]2CSC(CO)CO
• InChI: 1S/C9H13N5O3S/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
• InChIKey: MXCLLTYHKOFHAL-UHFFFAOYSA-N

Properties

• Density: 1.826g/cm³ (Cal.)
• Boiling point: 719.356°C at 760 mmHg (Cal.)
• Flash point: 388.852°C (Cal.)