5'-Deoxy-5'-(Isobutylthio)-3-Deazaadenosine
[CAS# 67377-76-8]

Identification

• Name: 5'-Deoxy-5'-(Isobutylthio)-3-Deazaadenosine
• Synonyms: 2-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-5-(Isobutylsulfanylmethyl)Tetrahydrofuran-3,4-Diol; 2-(4-Amino-1-Imidazo[4,5-C]Pyridinyl)-5-[(Isobutylthio)Methyl]Tetrahydrofuran-3,4-Diol; 2-(4-Aminoimidazo[4,5-C]Pyridin-1-Yl)-5-[(Isobutylthio)Methyl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₅H₂₂N₄O₃S
• Molecular Weight: 338.42
• CAS Registry Number: 67377-76-8
• SMILES: C2=NC1=C(N)N=CC=C1[N]2C3OC(CSCC(C)C)C(C3O)O
• InChI: 1S/C15H22N4O3S/c1-8(2)5-23-6-10-12(20)13(21)15(22-10)19-7-18-11-9(19)3-4-17-14(11)16/h3-4,7-8,10,12-13,15,20-21H,5-6H2,1-2H3,(H2,16,17)
• InChIKey: XDBKDRRIZBSEDB-UHFFFAOYSA-N

Properties

• Density: 1.543g/cm³ (Cal.)
• Boiling point: 627.497°C at 760 mmHg (Cal.)
• Flash point: 333.298°C (Cal.)