Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate supplier

Name
4-AMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 776-53-4
Article Data3
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 127-128 °C
Formula C₈H₁₁N₃O₂S
Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 213.26
Flash Point 177.8 °C
Transport Information
Appearance
Safety 36/37-24/25
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Amino-2-methanethiopyrimidine-5-carboxylicacid ethyl ester;Ethyl4-amino-2-methylsulfanyl-5-pyrimidinecarboxylate;NSC 9310;
PSA 103.40000
LogP 1.53860

Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate Specification

The Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate with the CAS number 776-53-4 is also called 5-Pyrimidinecarboxylicacid, 4-amino-2-(methylthio)-, ethyl ester. Its molecular formula is C₈H₁₁N₃O₂S. The product category is Pyrimidine series. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 6.38; (7)ACD/KOC (pH 5.5): 129.88; (8)ACD/KOC (pH 7.4): 131.14; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 80.62 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 54.34 cm³; (15)Molar Volume: 161.9 cm³; (16)Polarizability: 21.54×10^-24cm³; (17)Surface Tension: 64.5 dyne/cm; (18)Enthalpy of Vaporization: 61.72 kJ/mol; (19)Vapour Pressure: 1.11×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnc(SC)nc1N
(2)InChI: InChI=1/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11)
(3)InChIKey: QINRQIZOBCQKAZ-UHFFFAOYAS

Product Name

4-AMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER

Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate Specification

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