Basic information
- CAS
78246-18-1- Standard SMILES
CCCC(C)Cc1cnc(SC)c(C)n1- InChIKey
LJKPXYGPGYYPSW-UHFFFAOYSA-N- Molecular formula
- C12H20N2S
- Average molar mass
- 224.37 g/mol
- Monoisotopic mass
- 224.13471982
Names & identifiers
- Preferred name
- 3-Methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine
- IUPAC
- 3-methyl-5-(2-methylpentyl)-2-methylsulfanylpyrazine
Names & synonyms
3-methyl-5-(2-methylpentyl)-2-(methylthio)pyrazine78246-18-1DTXSID70335957RefChem:280935DTXCID50287046LJKPXYGPGYYPSW-UHFFFAOYSA-NCHEMBL92562SCHEMBL29070261Pyrazine, 3-methyl-5-(2-methylpentyl)-2-(methylthio)3-METHYL-5-(2-METHYLPENTYL)-2-(METHYLSULFANYL)PYRAZINE
Database identifiers
- CAS
78246-18-1- PubChem CID
- 528133
- DTXSID
DTXSID70335957- ChEMBL
CHEMBL92562
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
- 15
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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