Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-2-propenyl)-6-methyl-
Basic information
- CAS
138336-10-4- Standard SMILES
C=C(Cc1cncc(C)n1)c1c(Br)nc(SC)n1C- InChIKey
XKLADTZFEZJQML-UHFFFAOYSA-N- Molecular formula
- C13H15BrN4S
- Average molar mass
- 339.26 g/mol
- Monoisotopic mass
- 338.02008
Names & identifiers
- Preferred name
- Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-2-propenyl)-6-methyl-
- IUPAC
- 2-[2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)prop-2-enyl]-6-methylpyrazine
Names & synonyms
138336-10-4Pyrazine, 2-(2-(4-bromo-1-methyl-2-(methylthio)-1H-imidazol-5-yl)-2- propenyl)-6-methyl-DTXSID301606012-{2-[4-bromo-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]prop-2-en-1-yl}-6-methylpyrazine
Database identifiers
- CAS
138336-10-4- PubChem CID
- 178473
- DTXSID
DTXSID30160601
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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