4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy- supplier

Name
4(1H)-Pyrimidinone, 2-(ethylthio)-5-methoxy-
EINECS
CAS No. 49547-20-8
Article Data2
CAS DataBase
Density 1.306 g/cm³
Solubility
Melting Point
Formula C₇H₁₀N₂O₂S
Boiling Point 309.5 °C at 760 mmHg
Molecular Weight 186.235
Flash Point 141 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinone,2-(ethylthio)-5-methoxy- (9CI);2-(Ethylthio)-4-hydroxy-5-methoxypyrimidine;2-(Ethylthio)-5-methoxy-4-pyrimidinol;
PSA 80.28000
LogP 0.89050

4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy- Specification

The 4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy-, with the CAS registry number 49547-20-8, is also known as 4(1H)-Pyrimidinone, 2-(ethylthio)-5-methoxy-. This chemical's molecular formula is C₇H₁₀N₂O₂S and molecular weight is 186.2315. What's more, its systematic name is called 2-(Ethylsulfanyl)-5-methoxypyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 63; (8)ACD/KOC (pH 7.4): 21; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 75.99 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 48.043 cm³; (15)Molar Volume: 142.646 cm³; (16)Surface Tension: 44.604 dyne/cm; (17)Density: 1.306 g/cm³; (18)Flash Point: 141 °C; (19)Enthalpy of Vaporization: 55.03 kJ/mol; (20)Boiling Point: 309.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000635 mmHg at 25 °C.

Preparation of 4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy-: this chemical can be prepared by Iodoethane with 2-Mercapto-5-methoxy-1H-pyrimidin-4-one. This reaction needs reagent NaOH and solvent ethanol at temperature of 60 °C. The yield is 68 %.

4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy- can be prepared by Iodoethane with 2-Mercapto-5-methoxy-1H-pyrimidin-4-one.

You can still convert the following datas into molecular structure:
(1) SMILES: CCSC=1NC(=O)C(=C\N=1)/OC
(2) InChI: InChI=1/C7H10N2O2S/c1-3-12-7-8-4-5(11-2)6(10)9-7/h4H,3H2,1-2H3,(H,8,9,10)
(3) InChIKey: NGAWZVYNUUHVJQ-UHFFFAOYAY

Product Name

4(1H)-Pyrimidinone, 2-(ethylthio)-5-methoxy-

4(3H)-Pyrimidinone,2-(ethylthio)-5-methoxy- Specification

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