5-Pyrimidinecarboxylicacid, 2-(methylthio)-, methyl ester (38275-41-1)

The Methyl 2-(methylthio)pyrimidine-5-carboxylate with the cas number 38275-41-1 is also called 5-Pyrimidinecarboxylicacid, 2-(methylthio)-, methyl ester. Its molecular formula is C₇H₈N₂O₂S. The product category is Heterocyclic Compound.

The properties of the chemical are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.32; (6)ACD/BCF (pH 7.4): 3.32; (7)ACD/KOC (pH 5.5): 82.09; (8)ACD/KOC (pH 7.4): 82.09; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.38 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 46.1 cm³; (15)Molar Volume: 142.2 cm³; (16)Polarizability: 18.27×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Enthalpy of Vaporization: 54.03 kJ/mol; (19)Vapour Pressure: 0.00113 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is Harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cnc(SC)nc1
(2)InChI: InChI=1/C7H8N2O2S/c1-11-6(10)5-3-8-7(12-2)9-4-5/h3-4H,1-2H3
(3)InChIKey: PSYRMEZGAWNWHV-UHFFFAOYAT