diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane

C12H15N2O3PS — CID 26124

IUPACdiethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cnc2ccccc2n1
InChIInChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
InChIKeyJYQUHIFYBATCCY-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.31
Rot. Bonds6

About diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane

diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane (PubChem CID 26124) has the molecular formula C12H15N2O3PS and a molecular weight of 298.30 g/mol. Its IUPAC name is diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane
PubChem CID26124
Molecular FormulaC12H15N2O3PS
Molecular Weight298.30 g/mol
Exact Mass298.05
IUPAC Namediethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cnc2ccccc2n1
InChIInChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
InChIKeyJYQUHIFYBATCCY-UHFFFAOYSA-N
XLogP3.31
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane (CID 26124) is diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1cnc2ccccc2n1.
What is the InChIKey of diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?
The InChIKey is JYQUHIFYBATCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3.
What are the key properties of diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane?
diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane has a molecular weight of 298.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-quinoxalin-2-yloxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 26124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).