Basic information
- CAS
68560-83-8- Standard SMILES
CCCc1nccnc1SC- InChIKey
BEHCKYZOZCUCEQ-UHFFFAOYSA-N- Molecular formula
- C8H12N2S
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.07211956
Names & identifiers
- Preferred name
- Pyrazine, 2-(methylthio)-3-propyl-
- IUPAC
- 2-methylsulfanyl-3-propylpyrazine
Names & synonyms
Pyrazine, 2-(methylthio)-3-propyl-68560-83-8CHEMBL98067(1Z)-[4-(Benzyloxy)-3-methoxyphenyl]ethanal oximeDTXSID30335998Pyrazine, 2-methylthio-3-propylBEHCKYZOZCUCEQ-UHFFFAOYSA-N2-(METHYLSULFANYL)-3-PROPYLPYRAZINE
Database identifiers
- CAS
68560-83-8- PubChem CID
- 528309
- DTXSID
DTXSID30335998- ChEMBL
CHEMBL98067
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 108
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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