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CAS No.: | 2884-13-1 |
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Name: | 2-Methylthio-6-methylpyrazine |
Molecular Structure: | |
Formula: | C6H8N2S |
Molecular Weight: | 140.209 |
Synonyms: | 2-Methylthio-6-methylpyrazine;2-methyl-6-(methylsulfanyl)pyrazine;2-Methyl-6-(methylsulfanyl)pyrazine;2-Methylthio-6-methylpyrazine;pyrazine, 2-methyl-6-(methylthio)-; |
Density: | 1.14 g/cm3 |
Boiling Point: | 222.5 °C at 760 mmHg |
Flash Point: | 88.4 °C |
PSA: | 51.08000 |
LogP: | 1.50690 |
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The Pyrazine,2-methyl-6-(methylthio)-, with the CAS registry number 2884-13-1, has the systematic name of 2-methyl-6-(methylsulfanyl)pyrazine. It belongs to the product category of Heterocyclic Compounds. And the molecular formula of the chemical is C6H8N2S.
The characteristics of Pyrazine,2-methyl-6-(methylthio)- are as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.95; (6)ACD/BCF (pH 7.4): 11.95; (7)ACD/KOC (pH 5.5): 205.44; (8)ACD/KOC (pH 7.4): 205.45; (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)Density: 1.14 g/cm3; (19)Flash Point: 88.4 °C; (20)Enthalpy of Vaporization: 44.03 kJ/mol; (21)Boiling Point: 222.5 °C at 760 mmHg; (22)Vapour Pressure: 0.15 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c1nc(cnc1)C)C
(2)InChI: InChI=1/C6H8N2S/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3
(3)InChIKey: UWZQTYQYHJLIRS-UHFFFAOYAF