6-bromo-3-chloro-2-methylsulfanylquinoxaline

C9H6BrClN2S — CID 118726431

IUPAC6-bromo-3-chloro-2-methylsulfanylquinoxaline
SMILESCSc1nc2ccc(Br)cc2nc1Cl
InChIInChI=1S/C9H6BrClN2S/c1-14-9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3
InChIKeyHXXGAXDBTDAZGW-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.77
Rot. Bonds1

About 6-bromo-3-chloro-2-methylsulfanylquinoxaline

6-bromo-3-chloro-2-methylsulfanylquinoxaline (PubChem CID 118726431) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-methylsulfanylquinoxaline.

Molecular Properties

Compound Name6-bromo-3-chloro-2-methylsulfanylquinoxaline
PubChem CID118726431
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name6-bromo-3-chloro-2-methylsulfanylquinoxaline
SMILESCSc1nc2ccc(Br)cc2nc1Cl
InChIInChI=1S/C9H6BrClN2S/c1-14-9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3
InChIKeyHXXGAXDBTDAZGW-UHFFFAOYSA-N
XLogP3.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-3-methylsulfonylquinoxaline
CID 16731939
6-Bromo-3-chloro-2-methanesulfonylquinoxaline
CID 118726439
2-(4-Bromophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164615318
3-Chloro-2-(methylthio)quinoxaline
CID 90442310
6-Bromo-2,3-dimethylquinoxaline
CID 616892
6-Bromo-2-chloro-3-methylquinoxaline
CID 13487186
6-Bromo-3-methyl-2-phenylsulfanylquinoxaline
CID 122189749
6-Bromo-2,3-bis(bromomethyl)quinoxaline
CID 16216889
7-Bromo-2,3-dichloro-5-fluoroquinoxaline
CID 58475289
2-Chloro-6-fluoro-3-methylsulfanylquinoxaline
CID 86055871
2-Butylsulfanyl-3-chloroquinoxaline
CID 13142850
5-Bromo-2,3-dichloroquinoxaline
CID 33778321

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-methylsulfanylquinoxaline?
The IUPAC name of 6-bromo-3-chloro-2-methylsulfanylquinoxaline (CID 118726431) is 6-bromo-3-chloro-2-methylsulfanylquinoxaline.
What is the SMILES notation for 6-bromo-3-chloro-2-methylsulfanylquinoxaline?
The canonical SMILES for 6-bromo-3-chloro-2-methylsulfanylquinoxaline is CSc1nc2ccc(Br)cc2nc1Cl.
What is the InChIKey of 6-bromo-3-chloro-2-methylsulfanylquinoxaline?
The InChIKey is HXXGAXDBTDAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c1-14-9-8(11)12-7-4-5(10)2-3-6(7)13-9/h2-4H,1H3.
What are the key properties of 6-bromo-3-chloro-2-methylsulfanylquinoxaline?
6-bromo-3-chloro-2-methylsulfanylquinoxaline has a molecular weight of 289.59 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-methylsulfanylquinoxaline is sourced from PubChem (CID 118726431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).