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

Name
Ethyl 2-(methylthio)pyrimidine-4-carboxylate
EINECS
CAS No. 250726-39-7
Article Data4
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₈H₁₀N₂O₂S
Boiling Point 313.5 °C at 760 mmHg
Molecular Weight 198.2422
Flash Point 143.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester;
PSA 77.38000
LogP 1.37520

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

The Ethyl 2-(methylthio)pyrimidine-4-carboxylate, with the CAS registry number 250726-39-7, is also known as 4-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester. This chemical's molecular formula is C₈H₁₀N₂O₂S and molecular weight is 198.2422. What's more, its IUPAC name is Ethyl 2-methylsulfanylpyrimidine-4-carboxylate.

Physical properties about Ethyl 2-(methylthio)pyrimidine-4-carboxylate are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.4; (6)ACD/BCF (pH 7.4): 8.4; (7)ACD/KOC (pH 5.5): 159.71; (8)ACD/KOC (pH 7.4): 159.71; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.38 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 50.73 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 20.11×10^-24 cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 143.4 °C; (20)Enthalpy of Vaporization: 55.46 kJ/mol; (21)Boiling Point: 313.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000495 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CSc1nc(ccn1)C(=O)OCC
(2) InChI: InChI=1/C8H10N2O2S/c1-3-12-7(11)6-4-5-9-8(10-6)13-2/h4-5H,3H2,1-2H3
(3) InChIKey: DOJUQNDTUGUKLL-UHFFFAOYAC

Product Name

Ethyl 2-(methylthio)pyrimidine-4-carboxylate

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

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