4-Acetyl-2-methylthiopyrimidine supplier

Name
Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)
EINECS 200-589-5
CAS No. 496863-48-0
Article Data4
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point
Formula C₇H₈N₂OS
Boiling Point 300.766 °C at 760 mmHg
Molecular Weight 168.219
Flash Point 135.699 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[2-(Methylthio)pyrimidin-4-yl]ethanone;4-Acetyl-2-methylthiopyrimidine;
PSA 68.15000
LogP 1.40110

4-Acetyl-2-methylthiopyrimidine Specification

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

Product Name

Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]- (9CI)

4-Acetyl-2-methylthiopyrimidine Specification

Related Products

Hot Products