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Cas Database |
| Name |
4(3H)-Pyrimidinone,5-fluoro-2-(methylthio)- |
EINECS | N/A |
| CAS No. | 1480-92-8 | Density | 1.48 g/cm3 |
| PSA | 84.81000 | LogP | 0.91840 |
| Solubility | N/A | Melting Point |
241-243 °C |
| Formula | C5H5FN2OS | Boiling Point | N/A |
| Molecular Weight | 160.172 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4(1H)-Pyrimidinone,5-fluoro-2-(methylthio)- (6CI,7CI,9CI); |
Article Data | 4 |
4(3H)-Pyrimidinone,5-fluoro-2-(methylthio)- Specification
The 4(3H)-Pyrimidinone,5-fluoro-2-(methylthio)-, with the CAS registry number 1480-92-8, is also known as 4(1H)-Pyrimidinone,5-fluoro-2-(methylthio)- (6CI,7CI,9CI). This chemical's molecular formula is C5H5FN2OS and molecular weight is 160.1694. What's more, its systematic name is called 5-Fluoro-2-(methylsulfanyl)pyrimidin-4(3H)-one.
Physical properties about 4(3H)-Pyrimidinone,5-fluoro-2-(methylthio)- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 57.97 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 37.49 cm3; (9)Molar Volume: 107.5 cm3; (10)Surface Tension: 45.8 dyne/cm; (11)Density: 1.48 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(/F)=C\N=C(\SC)N1
(2) InChI: InChI=1/C5H5FN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)
(3) InChIKey: VSCLCCQOVQNZLO-UHFFFAOYAP
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