4-Sulfanyl-2-Pyrimidinol
[CAS 203213-14-3]

Identification

• Name: 4-Sulfanyl-2-Pyrimidinol
• Synonyms: 2(1H)-Pyrimidinone, 4-mercapto-; 2(1H)-Pyrimidinone, 6-mercapto-; 2-hydroxy-4(1h)-Pyrimidinethione
• Molecular Formula: C₄H₄N₂OS
• Molecular Weight: 128.15
• CAS Registry Number: 203213-14-3
• SMILES: C1=CN=C(N=C1S)O
• InChI: 1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
• InChIKey: OVONXEQGWXGFJD-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 295°C (Expl.)
• Boiling point: 388.0±34.0°C at 760 mmHg (Cal.)
• Flash point: 188.4±25.7°C (Cal.)
• Refractive index: 1.671 (Cal.)

Safety Data

• Safety Description: 22

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.