6-sulfanyloxyquinoxaline

C8H6N2OS — CID 123636597

IUPAC6-sulfanyloxyquinoxaline
SMILESSOc1ccc2nccnc2c1
InChIInChI=1S/C8H6N2OS/c12-11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,12H
InChIKeyQOLKASKZSPOQON-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.85
Rot. Bonds1

About 6-sulfanyloxyquinoxaline

6-sulfanyloxyquinoxaline (PubChem CID 123636597) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 6-sulfanyloxyquinoxaline.

Molecular Properties

Compound Name6-sulfanyloxyquinoxaline
PubChem CID123636597
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name6-sulfanyloxyquinoxaline
SMILESSOc1ccc2nccnc2c1
InChIInChI=1S/C8H6N2OS/c12-11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,12H
InChIKeyQOLKASKZSPOQON-UHFFFAOYSA-N
XLogP1.85
TPSA35.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-sulfanyloxyquinoxaline?
The IUPAC name of 6-sulfanyloxyquinoxaline (CID 123636597) is 6-sulfanyloxyquinoxaline.
What is the SMILES notation for 6-sulfanyloxyquinoxaline?
The canonical SMILES for 6-sulfanyloxyquinoxaline is SOc1ccc2nccnc2c1.
What is the InChIKey of 6-sulfanyloxyquinoxaline?
The InChIKey is QOLKASKZSPOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c12-11-6-1-2-7-8(5-6)10-4-3-9-7/h1-5,12H.
What are the key properties of 6-sulfanyloxyquinoxaline?
6-sulfanyloxyquinoxaline has a molecular weight of 178.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanyloxyquinoxaline is sourced from PubChem (CID 123636597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).