5-Methyl-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone
[CAS 35455-79-9]

Identification

• Name: 5-Methyl-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone
• Synonyms: 4-thiothymine
• Molecular Formula: C₅H₆N₂OS
• Molecular Weight: 142.18
• CAS Registry Number: 35455-79-9
• SMILES: CC1=CNC(=O)NC1=S
• InChI: 1S/C5H6N2OS/c1-3-2-6-5(8)7-4(3)9/h2H,1H3,(H2,6,7,8,9)
• InChIKey: GSPMCUUYNASDHM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)

References

• (1): Akira Ono, Hidetaka Torigoe, Yoshiyuki Tanaka and Itaru Okamoto. Binding of metal ions by pyrimidine base pairs in DNA duplexes, Chem. Soc. Rev., 2011, 40, 5855.