4(3H)-Pyrimidinone,5-methyl-2-(methylthio)- supplier

Name
4(3H)-Pyrimidinone, 5-methyl-2-(methylthio)-
EINECS
CAS No. 20651-30-3
Article Data17
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂OS
Boiling Point
Molecular Weight 156.208
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,5-methyl-2-(methylthio)- (8CI,9CI);4-Pyrimidinol, 5-methyl-2-(methylthio)-(7CI);2-(Methylthio)-5-methyl-1,3-pyrimidin-6-one;5-Methyl-2-methylsulfanyl-3H-pyrimidin-4-one;NSC 46972;
PSA 71.05000
LogP 0.80020

4(3H)-Pyrimidinone,5-methyl-2-(methylthio)- Specification

The 4(3H)-Pyrimidinone,5-methyl-2-(methylthio)-, with the CAS registry number 20651-30-3, is also known as 2-(Methylthio)-5-methylpyrimidine-4(1H)-one. This chemical's molecular formula is C₆H₈N₂OS and molecular weight is 156.2055. What's more, its systematic name is called 5-Methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone,5-methyl-2-(methylthio)- are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.61; (6)ACD/BCF (pH 7.4): 2.05; (7)ACD/KOC (pH 5.5): 69.02; (8)ACD/KOC (pH 7.4): 54.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.97 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 42.04 cm³; (15)Molar Volume: 119.9 cm³; (16)Surface Tension: 45.1 dyne/cm; (17)Density: 1.3 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C(=C\N=C(\SC)N1)C
(2) InChI: InChI=1/C6H8N2OS/c1-4-3-7-6(10-2)8-5(4)9/h3H,1-2H3,(H,7,8,9)
(3) InChIKey: TVPRITKRWWSQFW-UHFFFAOYAU

Product Name

4(3H)-Pyrimidinone, 5-methyl-2-(methylthio)-

4(3H)-Pyrimidinone,5-methyl-2-(methylthio)- Specification

Related Products

Hot Products