7-(2-Oxazolylthio)-3-(phenylmethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine
[CAS# 869853-70-3]

Identification

• Name: 7-(2-Oxazolylthio)-3-(phenylmethyl)-3H-1,2,3-triazolo[4,5-d]pyrimidine
• Synonyms: VAS 3947
• Molecular Formula: C₁₄H₁₀N₆OS
• Molecular Weight: 310.33
• CAS Registry Number: 869853-70-3
• SMILES: N1=NN(C=2N=CN=C(SC3=NC=CO3)C12)CC=4C=CC=CC4

Properties

• Solubility: Practically insoluble (0.037 g/L g/L) (25 °C), Calc.^*
• pKa: 0.85±0.30 (Most basic 25 °C), Calc.^*
• Density: 1.55±0.1 g/cm³ (20 °C 760 Torr), Calc.^*
• Boiling point: 577.8±60.0 °C (760 Torr), Calc.^*
• Flash point: 303.3±32.9 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)