6-bromo-3-methyl-2-phenylsulfanylquinoxaline

C15H11BrN2S — CID 122189749

IUPAC6-bromo-3-methyl-2-phenylsulfanylquinoxaline
SMILESCc1nc2cc(Br)ccc2nc1Sc1ccccc1
InChIInChI=1S/C15H11BrN2S/c1-10-15(19-12-5-3-2-4-6-12)18-13-8-7-11(16)9-14(13)17-10/h2-9H,1H3
InChIKeyOEGYFTKOKFXQAX-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.85
Rot. Bonds2

About 6-bromo-3-methyl-2-phenylsulfanylquinoxaline

6-bromo-3-methyl-2-phenylsulfanylquinoxaline (PubChem CID 122189749) has the molecular formula C15H11BrN2S and a molecular weight of 331.24 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-phenylsulfanylquinoxaline.

Molecular Properties

Compound Name6-bromo-3-methyl-2-phenylsulfanylquinoxaline
PubChem CID122189749
Molecular FormulaC15H11BrN2S
Molecular Weight331.24 g/mol
Exact Mass329.98
IUPAC Name6-bromo-3-methyl-2-phenylsulfanylquinoxaline
SMILESCc1nc2cc(Br)ccc2nc1Sc1ccccc1
InChIInChI=1S/C15H11BrN2S/c1-10-15(19-12-5-3-2-4-6-12)18-13-8-7-11(16)9-14(13)17-10/h2-9H,1H3
InChIKeyOEGYFTKOKFXQAX-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Bromophenyl)sulfanyl]quinoxaline
CID 3749824
6-Bromo-3-chloro-2-methanesulfonylquinoxaline
CID 118726439
2-Phenylsulfanyl-3-(trichloromethyl)quinoxaline
CID 164613939
2-(4-Bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164615318
6-Bromo-3-chloro-2-(methylsulfanyl)quinoxaline
CID 118726431
2-Methyl-3-phenylsulfanylquinoxaline
CID 899293
6-Bromo-2,3-dimethylquinoxaline
CID 616892
Quinoxaline, 2-methyl-3-(pentylthio)-
CID 3079965
2-Phenylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 164620397
2-Cyclohexylsulfanyl-3-(trifluoromethyl)quinoxaline
CID 172433648
6-Bromo-2-[(4-fluorophenyl)methylsulfanyl]quinoxaline
CID 178319330
2-Bromophenazine
CID 621074

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-phenylsulfanylquinoxaline?
The IUPAC name of 6-bromo-3-methyl-2-phenylsulfanylquinoxaline (CID 122189749) is 6-bromo-3-methyl-2-phenylsulfanylquinoxaline.
What is the SMILES notation for 6-bromo-3-methyl-2-phenylsulfanylquinoxaline?
The canonical SMILES for 6-bromo-3-methyl-2-phenylsulfanylquinoxaline is Cc1nc2cc(Br)ccc2nc1Sc1ccccc1.
What is the InChIKey of 6-bromo-3-methyl-2-phenylsulfanylquinoxaline?
The InChIKey is OEGYFTKOKFXQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2S/c1-10-15(19-12-5-3-2-4-6-12)18-13-8-7-11(16)9-14(13)17-10/h2-9H,1H3.
What are the key properties of 6-bromo-3-methyl-2-phenylsulfanylquinoxaline?
6-bromo-3-methyl-2-phenylsulfanylquinoxaline has a molecular weight of 331.24 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-phenylsulfanylquinoxaline is sourced from PubChem (CID 122189749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).