dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane

C7H10NO3PS — CID 56627944

IUPACdimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)Oc1ccccn1
InChIInChI=1S/C7H10NO3PS/c1-9-12(13,10-2)11-7-5-3-4-6-8-7/h3-6H,1-2H3
InChIKeyCKKCIIRDPJSFLE-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.98
Rot. Bonds4

About dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane

dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane (PubChem CID 56627944) has the molecular formula C7H10NO3PS and a molecular weight of 219.20 g/mol. Its IUPAC name is dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane
PubChem CID56627944
Molecular FormulaC7H10NO3PS
Molecular Weight219.20 g/mol
Exact Mass219.01
IUPAC Namedimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane
SMILESCOP(=S)(OC)Oc1ccccn1
InChIInChI=1S/C7H10NO3PS/c1-9-12(13,10-2)11-7-5-3-4-6-8-7/h3-6H,1-2H3
InChIKeyCKKCIIRDPJSFLE-UHFFFAOYSA-N
XLogP1.98
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyridin-2-yloxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane (CID 56627944) is dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane is COP(=S)(OC)Oc1ccccn1.
What is the InChIKey of dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane?
The InChIKey is CKKCIIRDPJSFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO3PS/c1-9-12(13,10-2)11-7-5-3-4-6-8-7/h3-6H,1-2H3.
What are the key properties of dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane?
dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane has a molecular weight of 219.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 56627944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).