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Name |
Pyrazine,2-methyl-6-(methylthio)- |
EINECS | N/A |
CAS No. | 2884-13-1 | Density | 1.14 g/cm3 |
PSA | 51.08000 | LogP | 1.50690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H8N2S | Boiling Point | 222.5 °C at 760 mmHg |
Molecular Weight | 140.209 | Flash Point | 88.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methylthio-6-methylpyrazine;2-methyl-6-(methylsulfanyl)pyrazine;2-Methyl-6-(methylsulfanyl)pyrazine;2-Methylthio-6-methylpyrazine;pyrazine, 2-methyl-6-(methylthio)-; |
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