Nitrobenzylthioformycin
[CAS# 64372-71-0]

Identification

• Name: Nitrobenzylthioformycin
• Synonyms: 2-(Hydroxymethyl)-5-[4-[(4-Nitrophenyl)Methylsulfanyl]Pyrazolo[4,5-E]Pyrimidin-1-Yl]Tetrahydrofuran-3,4-Diol; 2-(Hydroxymethyl)-5-[4-[(4-Nitrophenyl)Methylthio]-1-Pyrazolo[4,5-E]Pyrimidinyl]Tetrahydrofuran-3,4-Diol; 2-Methylol-5-[4-[(4-Nitrobenzyl)Thio]Pyrazolo[4,5-E]Pyrimidin-1-Yl]Tetrahydrofuran-3,4-Diol
• Molecular Formula: C₁₇H₁₇N₅O₆S
• Molecular Weight: 419.41
• CAS Registry Number: 64372-71-0
• SMILES: C2=N[N](C1OC(C(O)C1O)CO)C3=NC=NC(=C23)SCC4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C17H17N5O6S/c23-6-12-13(24)14(25)17(28-12)21-15-11(5-20-21)16(19-8-18-15)29-7-9-1-3-10(4-2-9)22(26)27/h1-5,8,12-14,17,23-25H,6-7H2
• InChIKey: NSHWXIMQXLHUQU-UHFFFAOYSA-N

Properties

• Density: 1.783g/cm³ (Cal.)
• Boiling point: 750.492°C at 760 mmHg (Cal.)
• Flash point: 407.683°C (Cal.)