2-Methyl-5-(methylthio)pyrazine
Basic information
- CAS
2884-13-1- Standard SMILES
CSc1cnc(C)cn1- InChIKey
DNBQBSWEJGAAIY-UHFFFAOYSA-N- Molecular formula
- C6H8N2S
- Average molar mass
- 140.21 g/mol
- Monoisotopic mass
- 140.04081944
Names & identifiers
- Preferred name
- 2-Methyl-5-(methylthio)pyrazine
- IUPAC
- 2-methyl-5-methylsulfanylpyrazine
- English name
- 2-Methylthio-6-methylpyrazine
- Molecular formula
- C6H8N2S
- Molecular weight
- 140.21
Names & synonyms
2-Methyl-5-(methylthio)pyrazine2884-14-22-Methylthio-5-methylpyrazinePyrazine, 2-methyl-5-(methylthio)-2-METHYL-5-(METHYLSULFANYL)PYRAZINE2-Methyl-5-methylsulfanyl-pyrazineFEMA no. 3208, 5-(methylthio)-SAY592831SDTXCID2027705DTXSID401026142RefChem:4756752-methyl-5-methylsulfanylpyrazine
Show more names
Pyrazine, 2-methyl-6-(methylthio)-(3,5OR6)-(METHYLTHIO)-2-METHYLPYRAZINE2-methylthio-6-methylpyrazine USP/EP/BP
Pyrazine, 2-methyl-5-methylthioUNII-SAY592831S5-Methyl-2-(methylthio)pyrazineSCHEMBL891368CHEMBL3188120DTXSID4047707SCHEMBL30122264Tox21_302591
Database identifiers
- CAS
2884-13-1、2884-14-2- PubChem CID
- 528143
- DTXSID
DTXSID401026142- ChEMBL
CHEMBL3188120- UNII
- SAY592831S
- Nikkaji
- J601.742H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 87.1
Physicochemical properties
- Boiling point
- 84 · 84-88 °C(Press: 10 Torr)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- FEMA
- 3208 · 3208 | (METHYLTHIO)METHYLPYRAZINE (MIXTURE OF ISOMERS)
- storage temp.
- 2 · 2-8°C
- pka
- 0.46 · 0.46±0.10(Predicted)
- JECFA Number
- 797 · 797
- LogP
- 1.72 · 1.720
- FDA UNII
- 9821 YQG3NE · 9821YQG3NE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPyrazine, 2-methyl-5-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses2-Methyl-6-(methylthio)pyrazine can be used for the quantitative structure-property study on pyrazines with bell pepper aroma.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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