chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane

C10H13Cl2O2PS — CID 54252513

IUPACchloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C10H13Cl2O2PS/c1-4-13-15(12,16)14-9-5-7(2)10(11)8(3)6-9/h5-6H,4H2,1-3H3
InChIKeyQXTLRCYQJSRMKJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP4.84
Rot. Bonds4

About chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane

chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane (PubChem CID 54252513) has the molecular formula C10H13Cl2O2PS and a molecular weight of 299.16 g/mol. Its IUPAC name is chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
PubChem CID54252513
Molecular FormulaC10H13Cl2O2PS
Molecular Weight299.16 g/mol
Exact Mass297.98
IUPAC Namechloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(Cl)Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C10H13Cl2O2PS/c1-4-13-15(12,16)14-9-5-7(2)10(11)8(3)6-9/h5-6H,4H2,1-3H3
InChIKeyQXTLRCYQJSRMKJ-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane (CID 54252513) is chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane is CCOP(=S)(Cl)Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is QXTLRCYQJSRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2O2PS/c1-4-13-15(12,16)14-9-5-7(2)10(11)8(3)6-9/h5-6H,4H2,1-3H3.
What are the key properties of chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane?
chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 299.16 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-chloro-3,5-dimethylphenoxy)-ethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).