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CAS No.: | 100114-24-7 |
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Name: | 5-METHYL-2-METHYLSULFANYL-PYRIMIDINE |
Molecular Structure: | |
Formula: | C6H8N2S |
Molecular Weight: | 140.209 |
Synonyms: | 5-Methyl-2-(methylthio)pyrimidine; |
Density: | 1.14 g/cm3 |
Boiling Point: | 237.3 °C at 760 mmHg |
Flash Point: | 97.3 °C |
Safety: | 22-24/25 |
PSA: | 51.08000 |
LogP: | 1.50690 |
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The 5-Methyl-2-(methylthio)pyrimidine with the CAS number 100114-24-7 is also called Pyrimidine,5-methyl-2-(methylthio)-. The systematic name is 5-methyl-2-(methylsulfanyl)pyrimidine. Its molecular formula is C6H8N2S. The Product Category is pyrimidine.
The properties of the chemical are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.71; (6)ACD/BCF (pH 7.4): 7.71; (7)ACD/KOC (pH 5.5): 150.21; (8)ACD/KOC (pH 7.4): 150.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.08 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 39.61 cm3; (15)Molar Volume: 122 cm3; (16)Polarizability: 15.7×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 45.49 kJ/mol; (19)Vapour Pressure: 0.0695 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(SC)nc1
(2)InChI: InChI=1/C6H8N2S/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
(3)InChIKey: HMROJJZKKIPDRB-UHFFFAOYAW