Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl-

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Basic information

CAS: 138336-20-6
Standard SMILES: CSc1nc2c3ncc(C)nc3cc(C)c2n1C
InChIKey: BDTYTAKDIXUPLX-UHFFFAOYSA-N
Molecular formula: C13H14N4S
Average molar mass: 258.34 g/mol
Monoisotopic mass: 258.09391764

Names & identifiers

Preferred name: Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl-
IUPAC: 3,4,7-trimethyl-2-methylsulfanylimidazo[4,5-f]quinoxaline

Names & synonyms

Imidazo(4,5-f)quinoxaline, 2-(methylthio)-3,4,7-trimethyl-138336-20-63,4,7-Trimethyl-2-(methylthio)imidazo(4,5-f)quinoxalineDTXSID801606113,4,7-Trimethyl-2-(methylsulfanyl)-3H-imidazo[4,5-f]quinoxaline

Database identifiers

CAS: 138336-20-6
PubChem CID: 178483
DTXSID: DTXSID80160611

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 313

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Compound notes

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