2-chloro-3-methylsulfanylquinoxaline

C9H7ClN2S — CID 90442310

IUPAC2-chloro-3-methylsulfanylquinoxaline
SMILESCSc1nc2ccccc2nc1Cl
InChIInChI=1S/C9H7ClN2S/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3
InChIKeyZXBRNAPMEIGHRB-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.01
Rot. Bonds1

About 2-chloro-3-methylsulfanylquinoxaline

2-chloro-3-methylsulfanylquinoxaline (PubChem CID 90442310) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-chloro-3-methylsulfanylquinoxaline.

Molecular Properties

Compound Name2-chloro-3-methylsulfanylquinoxaline
PubChem CID90442310
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name2-chloro-3-methylsulfanylquinoxaline
SMILESCSc1nc2ccccc2nc1Cl
InChIInChI=1S/C9H7ClN2S/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3
InChIKeyZXBRNAPMEIGHRB-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylsulfanylquinoxaline?
The IUPAC name of 2-chloro-3-methylsulfanylquinoxaline (CID 90442310) is 2-chloro-3-methylsulfanylquinoxaline.
What is the SMILES notation for 2-chloro-3-methylsulfanylquinoxaline?
The canonical SMILES for 2-chloro-3-methylsulfanylquinoxaline is CSc1nc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-3-methylsulfanylquinoxaline?
The InChIKey is ZXBRNAPMEIGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c1-13-9-8(10)11-6-4-2-3-5-7(6)12-9/h2-5H,1H3.
What are the key properties of 2-chloro-3-methylsulfanylquinoxaline?
2-chloro-3-methylsulfanylquinoxaline has a molecular weight of 210.69 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfanylquinoxaline is sourced from PubChem (CID 90442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).