4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)- supplier

Name
6-Amino-2-methylthio-3-methyluracil
EINECS
CAS No. 54030-56-7
Article Data5
CAS DataBase
Density 1.39 g/cm³
Solubility
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
Appearance
Safety 7/47-24/25-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 6-Amino-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one;
PSA 86.21000
LogP 0.66560

4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)- Specification

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

Product Name

6-Amino-2-methylthio-3-methyluracil

4(3H)-Pyrimidinone,6-amino-3-methyl-2-(methylthio)- Specification

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