Ethyl 2-(methylthio)pyrimidine-4-acetate supplier

Name
Ethyl2-methylthio-4-pyrimidin-acetate
EINECS
CAS No. 582309-12-4
Article Data2
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂O₂S
Boiling Point 326.7 °C at 760 mmHg
Molecular Weight 212.27
Flash Point 151.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyrimidineacetic acid, 2-(methylthio)-, ethyl ester;
PSA 77.38000
LogP 1.30410

Ethyl 2-(methylthio)pyrimidine-4-acetate Specification

The Ethyl2-methylthio-4-pyrimidin-acetate, with the CAS registry number 582309-12-4, is also known as 4-Pyrimidineacetic acid, 2-(methylthio)-, ethyl ester. This chemical's molecular formula is C₉H₁₂N₂O₂S and molecular weight is 212.27. What's more, its IUPAC name is Ethyl 2-(2-methylsulfanylpyrimidin-4-yl)acetate.

Physical properties about Ethyl2-methylthio-4-pyrimidin-acetate are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.62; (6)ACD/BCF (pH 7.4): 5.62; (7)ACD/KOC (pH 5.5): 119.73; (8)ACD/KOC (pH 7.4): 119.74; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 77.38 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 55.36 cm³; (15)Molar Volume: 175 cm³; (16)Polarizability: 21.94×10^-24 cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 151.4 °C; (20)Enthalpy of Vaporization: 56.89 kJ/mol; (21)Boiling Point: 326.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000212 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)Cc1ccnc(n1)SC
(2) InChI: InChI=1/C9H12N2O2S/c1-3-13-8(12)6-7-4-5-10-9(11-7)14-2/h4-5H,3,6H2,1-2H3
(3) InChIKey: OZSRTYTZKWINDF-UHFFFAOYAL

Product Name

Ethyl2-methylthio-4-pyrimidin-acetate

Ethyl 2-(methylthio)pyrimidine-4-acetate Specification

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