2(1H)-Pyrimidinethione,5,6-dimethyl- (64942-98-9)

The 4,5-Dimethyl-2-pyrimidinethiol, with the CAS registry number 64942-98-9, is also known as 4,5-Dimethyl-2(1H)-pyrimidinethione. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₆H₈N₂S and molecular weight is 140.21. What's more, its systematic name is called 4,5-Dimethylpyrimidine-2-thiol.

Physical properties about 4,5-Dimethyl-2-pyrimidinethiol are: (1) ACD/LogP: 1.61; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 2; (8) #H bond donors: 0; (9) #Freely Rotating Bonds: 0; (10) Polar Surface Area: 64.58 Å²; (11) Index of Refraction: 1.58; (12) Molar Refractivity: 40.261 cm³; (13) Molar Volume: 121.042 cm³; (14) Surface Tension: 48.459 dyne/cm; (15) Density: 1.158 g/cm³; (16) Flash Point: 119.614 °C; (17) Enthalpy of Vaporization: 49.193 kJ/mol; (18) Boiling Point: 274.17 °C at 760 mmHg; (19) Vapour Pressure: 0.009 mmHg at 25 °C. 

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cnc(S)nc1C
(2) InChI: InChI=1/C6H8N2S/c1-4-3-7-6(9)8-5(4)2/h3H,1-2H3,(H,7,8,9)
(3) InChIKey: IVYAMTGRPUIBAB-UHFFFAOYAZ