2-Methyl-3(or 5)-(methylthio)pyrazine
Basic information
- CAS
68378-12-1- Standard SMILES
CSc1cnc(C)cn1.CSc1nccnc1C- InChIKey
PYWKOMLPQRZQSD-UHFFFAOYSA-N- Molecular formula
- C12H16N4S2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.08163887
Names & identifiers
- Preferred name
- 2-Methyl-3(or 5)-(methylthio)pyrazine
- IUPAC
- 2-methyl-3-methylsulfanylpyrazine;2-methyl-5-methylsulfanylpyrazine
- English name
- 2-Methylthio-3(5/6)-methylpyrazine
- Molecular formula
- C6H8N2S
- Molecular weight
- 140.20612
Names & synonyms
2-Methyl-3(or 5)-(methylthio)pyrazine2-METHYLTHIO-3(5/6)-METHYLPYRAZINE
Database identifiers
- CAS
68378-12-1- PubChem CID
- 16220106
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Odor
- nutty
- LogP
- 1.72 · 1.72
- EPA Substance Registry System
- 2 · Pyrazine, 2-methyl-3(or 5)-(methylthio)- (68378-12-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Additional notes
DefinitionChEBI: 2-Methyl-(3 or 5 or 6)-(methylthio)pyrazine (mixture of isomers) is an aryl sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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