1,3-Dimethyl-4-Sulfanylidene-Pyrimidin-2-One
[CAS# 49785-67-3]

Identification

• Name: 1,3-Dimethyl-4-Sulfanylidene-Pyrimidin-2-One
• Synonyms: 1,3-Dimethyl-4-Thioxo-Pyrimidin-2-One; 1,3-Dimethyl-4-Thioxo-2-Pyrimidinone; 1,3-Dimethyl-4-Sulfanylidene-Pyrimidin-2-One
• Molecular Formula: C₆H₈N₂OS
• Molecular Weight: 156.20
• CAS Registry Number: 49785-67-3
• SMILES: CN1C(N(C=CC1=S)C)=O
• InChI: 1S/C6H8N2OS/c1-7-4-3-5(10)8(2)6(7)9/h3-4H,1-2H3
• InChIKey: PMKLUUOSOUESOS-UHFFFAOYSA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 219.594°C at 760 mmHg (Cal.)
• Flash point: 86.608°C (Cal.)

References

• (1): Grazyna Wenska, Katarzyna Taras-Goślińska, Adam Łukaszewicz, Gotard Burdziński, Jacek Koput and Andrzej Maciejewski. Mechanism and dynamics of intramolecular triplet state decay of 1-propyl-4-thiouracil and its α-methyl-substituted derivatives studied in perfluoro-1,3-dimethylcyclohexane, Photochem. Photobiol. Sci., 2011, 10, 1294.