2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone
[CAS# 126160-72-3]

Identification

• Name: 2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone
• Synonyms: 2, 3-Dihydro-2-thioxo-4(1H)-pyrimidinone; 2,3-Dihydro-2-thioxo-4(1H)-pyrimidinone; 2-Mercapto-3H-pyrimidin-4-one
• Molecular Formula: C₄H₄N₂OS
• Molecular Weight: 128.15
• CAS Registry Number: 126160-72-3
• SMILES: C1=CNC(=S)NC1=O
• InChI: 1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
• InChIKey: ZEMGGZBWXRYJHK-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 300°C (Expl.)
• Refractive index: 1.678 (Cal.)

Safety Data

• Safety Code: S36/37
• Risk Code: R40
• Hazard Symbol: X
• Safety Description: IRRITANT

References

• (1): Yuan Tian, Siqiu Ye, Qin Ran, Yuezhong Xian, Jingjing Xu, Ru Peng and Litong Jin. Generation of surface-confined catechol terminated SAMs via electrochemically triggered Michael addition: characterization, electrochemistry and complex with Ni(ii) and Cu(ii), Phys. Chem. Chem. Phys., 2010, 12, 13287.