Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Acetyl-2-methylthiopyrimidine |
EINECS | 200-589-5 |
CAS No. | 496863-48-0 | Density | 1.238 g/cm3 |
PSA | 68.15000 | LogP | 1.40110 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H8N2OS | Boiling Point | 300.766 °C at 760 mmHg |
Molecular Weight | 168.219 | Flash Point | 135.699 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[2-(Methylthio)pyrimidin-4-yl]ethanone;4-Acetyl-2-methylthiopyrimidine; |
Article Data | 4 |
The CAS registry number of Ethanone,1-[2-(methylthio)-4-pyrimidinyl]- is 496863-48-0. The IUPAC name is 1-(2-methylsulfanylpyrimidin-4-yl)ethanone. In addition, the molecular formula is C7H8N2OS and the molecular weight is 168.22. It belongs to the class of Acetylgroup.
Physical properties about Ethanone,1-[2-(methylthio)-4-pyrimidinyl]- are: (1)ACD/LogP: 1.39 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 42; (5)ACD/KOC (pH 7.4): 42; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 68.15 Å2; (10)Index of Refraction: 1.567; (11)Molar Refractivity: 44.359 cm3; (12)Molar Volume: 135.872 cm3; (13)Polarizability: 17.585 ×10-24cm3; (14)Surface Tension: 55.391 dyne/cm; (15)Density: 1.238 g/cm3; (16)Flash Point: 135.699 °C; (17)Enthalpy of Vaporization: 54.086 kJ/mol; (18)Boiling Point: 300.766 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nc(SC)ncc1)C
(2)InChI: InChI=1/C7H8N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-4H,1-2H3
(3)InChIKey: WXQMROLQWGTVBM-UHFFFAOYAJ