2-chloro-6-fluoro-3-methylsulfanylquinoxaline

C9H6ClFN2S — CID 86055871

IUPAC2-chloro-6-fluoro-3-methylsulfanylquinoxaline
SMILESCSc1nc2cc(F)ccc2nc1Cl
InChIInChI=1S/C9H6ClFN2S/c1-14-9-8(10)12-6-3-2-5(11)4-7(6)13-9/h2-4H,1H3
InChIKeyVUZMDBBKMBNUSU-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.14
Rot. Bonds1

About 2-chloro-6-fluoro-3-methylsulfanylquinoxaline

2-chloro-6-fluoro-3-methylsulfanylquinoxaline (PubChem CID 86055871) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-methylsulfanylquinoxaline.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methylsulfanylquinoxaline
PubChem CID86055871
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name2-chloro-6-fluoro-3-methylsulfanylquinoxaline
SMILESCSc1nc2cc(F)ccc2nc1Cl
InChIInChI=1S/C9H6ClFN2S/c1-14-9-8(10)12-6-3-2-5(11)4-7(6)13-9/h2-4H,1H3
InChIKeyVUZMDBBKMBNUSU-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thioquinox
CID 7159
2,3-Dichloroquinoxaline
CID 16659
2-Chloro-3-methylsulfonylquinoxaline
CID 16731939
3,6-Dichloro-2-methylsulfonylquinoxaline
CID 16732511
3,6-Dichloro-2-methylsulfinylquinoxaline
CID 118726438
2-Chloro-3-(trifluoromethyl)quinoxaline
CID 736421
2-Chloro-3-methylquinoxaline
CID 236276
2-Phenylsulfanyl-3-(trichloromethyl)quinoxaline
CID 164613939
2-(4-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164618532
2-(2-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164621242
2-(3-Fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
CID 164626207
3,6-Dichloro-2-methylsulfanylquinoxaline
CID 86055868

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methylsulfanylquinoxaline?
The IUPAC name of 2-chloro-6-fluoro-3-methylsulfanylquinoxaline (CID 86055871) is 2-chloro-6-fluoro-3-methylsulfanylquinoxaline.
What is the SMILES notation for 2-chloro-6-fluoro-3-methylsulfanylquinoxaline?
The canonical SMILES for 2-chloro-6-fluoro-3-methylsulfanylquinoxaline is CSc1nc2cc(F)ccc2nc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-methylsulfanylquinoxaline?
The InChIKey is VUZMDBBKMBNUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c1-14-9-8(10)12-6-3-2-5(11)4-7(6)13-9/h2-4H,1H3.
What are the key properties of 2-chloro-6-fluoro-3-methylsulfanylquinoxaline?
2-chloro-6-fluoro-3-methylsulfanylquinoxaline has a molecular weight of 228.68 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-methylsulfanylquinoxaline is sourced from PubChem (CID 86055871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).