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Cas Database |
Name |
4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)- |
EINECS | N/A |
CAS No. | 54030-56-7 | Density | 1.39 g/cm3 |
PSA | 86.21000 | LogP | 0.66560 |
Solubility | N/A | Melting Point |
255-258 °C |
Formula | C6H9N3OS | Boiling Point | 282.3 °C at 760 mmHg |
Molecular Weight | 171.223 | Flash Point | 124.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 7/47-24/25-36/37 | Risk Codes | 20/21/22 |
Molecular Structure |
|
Hazard Symbols | N/A |
Synonyms |
6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one; |
Article Data | 5 |
The 4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)-, with the CAS registry number of 54030-56-7, is also known as 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one. It belongs to the product categories of Aromatics Compounds; Aromatics; Bases & Related Reagents; Heterocycles; Nucleotides; Sulfur & Selenium Compounds. Its molecular formula is C6H9N3OS and molecular weight is 171.2202. What's more, its IUPAC name is 6-Amino-3-methyl-2-methylsulfanylpyrimidin-4-one.
Physical properties about the 4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)- are: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 61.21 Å2; (7)Index of Refraction: 1.65; (8)Molar Refractivity: 44.86 cm3; (9)Molar Volume: 122.8 cm3; (10)Surface Tension: 53.5 dyne/cm; (11)Density: 1.39 g/cm3; (12)Flash Point: 124.5 °C; (13)Enthalpy of Vaporization: 52.11 kJ/mol; (14)Boiling Point: 282.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00339 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(\N=C(\SC)N1C)N
(2) InChI: InChI=1/C6H9N3OS/c1-9-5(10)3-4(7)8-6(9)11-2/h3H,7H2,1-2H3
(3) InChIKey: LYWPZKCXMFJSGI-UHFFFAOYAJ