(4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

C8H10ClO3PS — CID 6426886

IUPAC(4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO3PS/c1-10-13(14,11-2)12-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyBRVKOSZYJDZFRX-UHFFFAOYSA-N
MW252.66 g/mol
LogP3.24
Rot. Bonds4

About (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane

(4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 6426886) has the molecular formula C8H10ClO3PS and a molecular weight of 252.66 g/mol. Its IUPAC name is (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
PubChem CID6426886
Molecular FormulaC8H10ClO3PS
Molecular Weight252.66 g/mol
Exact Mass251.98
IUPAC Name(4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO3PS/c1-10-13(14,11-2)12-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKeyBRVKOSZYJDZFRX-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane (CID 6426886) is (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane is COP(=S)(OC)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is BRVKOSZYJDZFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO3PS/c1-10-13(14,11-2)12-8-5-3-7(9)4-6-8/h3-6H,1-2H3.
What are the key properties of (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane?
(4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 252.66 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 6426886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).