Basic information
- CAS
99784-28-8- Standard SMILES
CCSc1ncc(CC(C)CC)nc1C- InChIKey
NSUWJTNHTHHKPF-UHFFFAOYSA-N- Molecular formula
- C12H20N2S
- Average molar mass
- 224.37 g/mol
- Monoisotopic mass
- 224.13471982
Names & identifiers
- Preferred name
- 2-Ethylthio-3-methyl-5-(2-methylbutyl)pyrazine
- IUPAC
- 2-ethylsulfanyl-3-methyl-5-(2-methylbutyl)pyrazine
Names & synonyms
2-ethylthio-3-methyl-5-(2-methylbutyl)pyrazine99784-28-8DTXSID50335955RefChem:260721DTXCID30287044NSUWJTNHTHHKPF-UHFFFAOYSA-NCHEMBL96949Pyrazine, 2-(ethylthio)-3-methyl-5-(2-methylbutyl)2-(ETHYLSULFANYL)-3-METHYL-5-(2-METHYLBUTYL)PYRAZINE
Database identifiers
- CAS
99784-28-8- PubChem CID
- 528119
- DTXSID
DTXSID50335955- ChEMBL
CHEMBL96949
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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