2-chloro-6-methoxy-3-methylsulfanylquinoxaline

C10H9ClN2OS — CID 86055858

IUPAC2-chloro-6-methoxy-3-methylsulfanylquinoxaline
SMILESCOc1ccc2nc(Cl)c(SC)nc2c1
InChIInChI=1S/C10H9ClN2OS/c1-14-6-3-4-7-8(5-6)13-10(15-2)9(11)12-7/h3-5H,1-2H3
InChIKeyLTKSGDVBXLINLU-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.01
Rot. Bonds2

About 2-chloro-6-methoxy-3-methylsulfanylquinoxaline

2-chloro-6-methoxy-3-methylsulfanylquinoxaline (PubChem CID 86055858) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-methylsulfanylquinoxaline.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-methylsulfanylquinoxaline
PubChem CID86055858
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-chloro-6-methoxy-3-methylsulfanylquinoxaline
SMILESCOc1ccc2nc(Cl)c(SC)nc2c1
InChIInChI=1S/C10H9ClN2OS/c1-14-6-3-4-7-8(5-6)13-10(15-2)9(11)12-7/h3-5H,1-2H3
InChIKeyLTKSGDVBXLINLU-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-methylsulfanylquinoxaline?
The IUPAC name of 2-chloro-6-methoxy-3-methylsulfanylquinoxaline (CID 86055858) is 2-chloro-6-methoxy-3-methylsulfanylquinoxaline.
What is the SMILES notation for 2-chloro-6-methoxy-3-methylsulfanylquinoxaline?
The canonical SMILES for 2-chloro-6-methoxy-3-methylsulfanylquinoxaline is COc1ccc2nc(Cl)c(SC)nc2c1.
What is the InChIKey of 2-chloro-6-methoxy-3-methylsulfanylquinoxaline?
The InChIKey is LTKSGDVBXLINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-14-6-3-4-7-8(5-6)13-10(15-2)9(11)12-7/h3-5H,1-2H3.
What are the key properties of 2-chloro-6-methoxy-3-methylsulfanylquinoxaline?
2-chloro-6-methoxy-3-methylsulfanylquinoxaline has a molecular weight of 240.72 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-methylsulfanylquinoxaline is sourced from PubChem (CID 86055858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).