dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole

C12H13N4O3PS2 — CID 118524940

IUPACdimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole
SMILESCOP(=S)(OC)Oc1cnc2ccccc2n1.c1csnn1
InChIInChI=1S/C10H11N2O3PS.C2H2N2S/c1-13-16(17,14-2)15-10-7-11-8-5-3-4-6-9(8)12-10;1-2-5-4-3-1/h3-7H,1-2H3;1-2H
InChIKeyVTQLINHYLUGLMX-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.06
Rot. Bonds4

About dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole

dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole (PubChem CID 118524940) has the molecular formula C12H13N4O3PS2 and a molecular weight of 356.37 g/mol. Its IUPAC name is dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole.

Molecular Properties

Compound Namedimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole
PubChem CID118524940
Molecular FormulaC12H13N4O3PS2
Molecular Weight356.37 g/mol
Exact Mass356.02
IUPAC Namedimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole
SMILESCOP(=S)(OC)Oc1cnc2ccccc2n1.c1csnn1
InChIInChI=1S/C10H11N2O3PS.C2H2N2S/c1-13-16(17,14-2)15-10-7-11-8-5-3-4-6-9(8)12-10;1-2-5-4-3-1/h3-7H,1-2H3;1-2H
InChIKeyVTQLINHYLUGLMX-UHFFFAOYSA-N
XLogP3.06
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole?
The IUPAC name of dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole (CID 118524940) is dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole.
What is the SMILES notation for dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole?
The canonical SMILES for dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole is COP(=S)(OC)Oc1cnc2ccccc2n1.c1csnn1.
What is the InChIKey of dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole?
The InChIKey is VTQLINHYLUGLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O3PS.C2H2N2S/c1-13-16(17,14-2)15-10-7-11-8-5-3-4-6-9(8)12-10;1-2-5-4-3-1/h3-7H,1-2H3;1-2H.
What are the key properties of dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole?
dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole has a molecular weight of 356.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-quinoxalin-2-yloxy-sulfanylidene-λ5-phosphane;thiadiazole is sourced from PubChem (CID 118524940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).