5-Isobutyl-3-methyl-2-(methylthio)pyrazine

HCID 528136

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Basic information

CAS: 78246-17-0
Standard SMILES: CSc1ncc(CC(C)C)nc1C
InChIKey: OYANNTFZVSVJHE-UHFFFAOYSA-N
Molecular formula: C10H16N2S
Average molar mass: 196.31 g/mol
Monoisotopic mass: 196.10341969

Names & identifiers

Preferred name: 5-Isobutyl-3-methyl-2-(methylthio)pyrazine
IUPAC: 3-methyl-5-(2-methylpropyl)-2-methylsulfanylpyrazine

Names & synonyms

5-Isobutyl-3-methyl-2-(methylthio)pyrazine78246-17-0DTXSID90335959RefChem:303567DTXCID70287048OYANNTFZVSVJHE-UHFFFAOYSA-NCHEMBL96465Pyrazine, 3-methyl-5-(2-methylpropyl)-2-(methylthio)3-METHYL-5-(2-METHYLPROPYL)-2-(METHYLSULFANYL)PYRAZINE

Database identifiers

CAS: 78246-17-0
PubChem CID: 528136
DTXSID: DTXSID90335959
ChEMBL: CHEMBL96465

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 150

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