Molecule structure of 2-Methyl-3-(methylthio)pyrazine (CAS NO.67952-65-2):
IUPAC Name: 2-Methyl-3-methylsulfanylpyrazine
Molecular Weight: 140.20612 g/mol
Molecular Formula: C6H8N2S
Density: 1.14 g/cm3
Boiling Point: 221 °C at 760 mmHg
Flash Point: 87.5 °C
Index of Refraction: 1.562
Molar Refractivity: 39.61 cm3
Molar Volume: 122 cm3
Surface Tension: 50.4 dyne/cm
Enthalpy of Vaporization: 43.88 kJ/mol
Vapour Pressure: 0.163 mmHg at 25 °C
XLogP3: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 140.040819
MonoIsotopic Mass: 140.040819
Topological Polar Surface Area: 25.8
Heavy Atom Count: 9
Canonical SMILES: CC1=NC=CN=C1SC
InChI: InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
InChIKey: PPPFFGVGWFKTHX-UHFFFAOYSA-N
EINECS: 267-918-3
Product Categories of 2-Methyl-3-(methylthio)pyrazine (CAS NO.67952-65-2): pyrazine Flavor; Alphabetical Listings; Flavors and Fragrances; M-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
2-Methyl-3-(methylthio)pyrazine (CAS NO.67952-65-2) is also named as (Methylthio)(methyl)pyrazine ; (Methylthio)methylpyrazine (mixture of isomers) ; 2-Methyl-3(or 5 or 6)-(methylthio)pyrazine ; 3(or 5 or 6)-(Methylthio)-2-methylpyrazine ; FEMA No. 3208 ; Pyrazine, methyl(methylthio)- ; Methyl(methylthio)pyrazine .
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