2-Methyl-3-(methylthio)pyrazine - CAS 2882-20-4
Catalog: |
BB019976 |
Product Name: |
2-Methyl-3-(methylthio)pyrazine |
CAS: |
2882-20-4 |
Synonyms: |
Pyrazine, 2-methyl-3-(methylthio)-; 2-Methyl-3-(methylsulfanyl)pyrazine; 2-Methyl-3-methylmercaptopyrazine; 2-Methylmercapto-3-methylpyrazine; 2-Methylthio-3-methylpyrazine; 3-Methyl-2-methylthiopyrazine; NSC 222757 |
IUPAC Name: | 2-methyl-3-methylsulfanylpyrazine |
Molecular Weight: | 140.21 |
Molecular Formula: | C6H8N2S |
Canonical SMILES: | CC1=NC=CN=C1SC |
InChI: | InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3 |
InChI Key: | PPPFFGVGWFKTHX-UHFFFAOYSA-N |
Boiling Point: | 84-88°C at 10 Torr |
Flash Point: | 76°C |
Purity: | 95% |
Density: | 1.14±0.1 g/cm3 |
Appearance: | Colorless to Almost Colorless Clear Liquid |
Storage: | Store at RT |
LogP: | 1.50690 |
Refractive Index: | 1.582-1.584 |
GHS Hazard Statement: | Not Classified |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111748413-A | Coffee extract for cigarettes and preparation method and application thereof | 20200813 |
WO-2021198199-A1 | Flavor composition | 20200331 |
CN-110963974-A | Production method of 2-methyl-3 (5 or 6) -methylthio pyrazine | 20191219 |
CN-110897140-A | Cake-type edible essence containing thioester acetate | 20191129 |
WO-2021083167-A1 | Substituted heterocyclic fused cyclic compound, preparation method therefor and pharmaceutical use thereof | 20191030 |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.04081944 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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