5-Methyl-3-Phenyl-2-Sulfanylidene-4H-[1,3]Thiazolo[5,4-e]Pyrimidin-7-One
[CAS# 141622-32-4]

Identification

• Name: 5-Methyl-3-Phenyl-2-Sulfanylidene-4H-[1,3]Thiazolo[5,4-e]Pyrimidin-7-One
• Synonyms: 5-Methyl-3-Phenyl-2-Thioxo-4H-Thiazolo[5,4-E]Pyrimidin-7-One; Oprea1_750483; 5-Methyl-3-Phenyl-2-Thioxo-2,3-Dihydro[1,3]Thiazolo[4,5-D]Pyrimidin-7(6H)-One
• Molecular Formula: C₁₂H₉N₃OS₂
• Molecular Weight: 275.34
• CAS Registry Number: 141622-32-4
• SMILES: C1=CC=CC=C1N3C2=C(C(=O)N=C(C)N2)SC3=S
• InChI: 1S/C12H9N3OS2/c1-7-13-10-9(11(16)14-7)18-12(17)15(10)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
• InChIKey: SBNWDVUYFCQHKQ-UHFFFAOYSA-N

Properties

• Density: 1.529g/cm³ (Cal.)
• Boiling point: 406.125°C at 760 mmHg (Cal.)
• Flash point: 199.417°C (Cal.)