5,7-Dimethyl-3-(Methylthio)-Pyrimido[4,5-e]-1,2,4-Triazine-6,8(5H,7H)-Dione
[CAS# 7271-94-5]

Identification

• Name: 5,7-Dimethyl-3-(Methylthio)-Pyrimido[4,5-e]-1,2,4-Triazine-6,8(5H,7H)-Dione
• Synonyms: 5,7-Dimethyl-3-Methylsulfanyl-Pyrimido[6,5-E][1,2,4]Triazine-6,8-Dione; 5,7-Dimethyl-3-(Methylthio)Pyrimido[6,5-E][1,2,4]Triazine-6,8-Dione; 5,7-Dimethyl-3-(Methylthio)Pyrimido[6,5-E][1,2,4]Triazine-6,8-Quinone
• Molecular Formula: C₈H₉N₅O₂S
• Molecular Weight: 239.25
• CAS Registry Number: 7271-94-5
• SMILES: CSC1=NC2=C(N=N1)C(N(C(N2C)=O)C)=O
• InChI: 1S/C8H9N5O2S/c1-12-5-4(6(14)13(2)8(12)15)10-11-7(9-5)16-3/h1-3H3
• InChIKey: UOBNSKFAKGYAQS-UHFFFAOYSA-N

Properties

• Density: 1.568g/cm³ (Cal.)
• Boiling point: 470.483°C at 760 mmHg (Cal.)
• Flash point: 238.34°C (Cal.)