bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane

C16H11Cl2N2O2PS — CID 13048549

IUPACbis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane
SMILESS=P(Oc1ccc(Cl)cn1)(Oc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H11Cl2N2O2PS/c17-12-6-8-15(19-10-12)21-23(24,14-4-2-1-3-5-14)22-16-9-7-13(18)11-20-16/h1-11H
InChIKeyDCSRGYDLTYTGEZ-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.88
Rot. Bonds5

About bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane

bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane (PubChem CID 13048549) has the molecular formula C16H11Cl2N2O2PS and a molecular weight of 397.22 g/mol. Its IUPAC name is bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane
PubChem CID13048549
Molecular FormulaC16H11Cl2N2O2PS
Molecular Weight397.22 g/mol
Exact Mass395.97
IUPAC Namebis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane
SMILESS=P(Oc1ccc(Cl)cn1)(Oc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C16H11Cl2N2O2PS/c17-12-6-8-15(19-10-12)21-23(24,14-4-2-1-3-5-14)22-16-9-7-13(18)11-20-16/h1-11H
InChIKeyDCSRGYDLTYTGEZ-UHFFFAOYSA-N
XLogP4.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 54.88
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 bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane (CID 13048549) is bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane is S=P(Oc1ccc(Cl)cn1)(Oc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is DCSRGYDLTYTGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N2O2PS/c17-12-6-8-15(19-10-12)21-23(24,14-4-2-1-3-5-14)22-16-9-7-13(18)11-20-16/h1-11H.
What are the key properties of bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane?
bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 397.22 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(5-chloro-2-pyridinyl)oxy]-phenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13048549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).