Pyrazine, 3-methylthio-2-pentyl
Basic information
- CAS
113685-87-3- Standard SMILES
CCCCCc1nccnc1SC- InChIKey
QPQMKGUVJKDKOV-UHFFFAOYSA-N- Molecular formula
- C10H16N2S
- Average molar mass
- 196.31 g/mol
- Monoisotopic mass
- 196.10341969
Names & identifiers
- Preferred name
- Pyrazine, 3-methylthio-2-pentyl
- IUPAC
- 2-methylsulfanyl-3-pentylpyrazine
Names & synonyms
Pyrazine, 3-methylthio-2-pentyl113685-87-3DTXSID30336001RefChem:375924DTXCID40287090QPQMKGUVJKDKOV-UHFFFAOYSA-NCHEMBL94342Pyrazine, 2-(methylthio)-3-pentyl2-(METHYLSULFANYL)-3-PENTYLPYRAZINE
Database identifiers
- CAS
113685-87-3- PubChem CID
- 528323
- DTXSID
DTXSID30336001- ChEMBL
CHEMBL94342
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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