dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane

C6H4Cl3O3PS — CID 87564961

IUPACdihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane
SMILESOP(O)(=S)Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3O3PS/c7-3-1-4(8)6(5(9)2-3)12-13(10,11)14/h1-2H,(H2,10,11,14)
InChIKeyUKZUOZLKSDKKLL-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.23
Rot. Bonds2

About dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane

dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane (PubChem CID 87564961) has the molecular formula C6H4Cl3O3PS and a molecular weight of 293.50 g/mol. Its IUPAC name is dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane
PubChem CID87564961
Molecular FormulaC6H4Cl3O3PS
Molecular Weight293.50 g/mol
Exact Mass291.87
IUPAC Namedihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane
SMILESOP(O)(=S)Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C6H4Cl3O3PS/c7-3-1-4(8)6(5(9)2-3)12-13(10,11)14/h1-2H,(H2,10,11,14)
InChIKeyUKZUOZLKSDKKLL-UHFFFAOYSA-N
XLogP3.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane?
The IUPAC name of dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane (CID 87564961) is dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane.
What is the SMILES notation for dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane?
The canonical SMILES for dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane is OP(O)(=S)Oc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane?
The InChIKey is UKZUOZLKSDKKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3O3PS/c7-3-1-4(8)6(5(9)2-3)12-13(10,11)14/h1-2H,(H2,10,11,14).
What are the key properties of dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane?
dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane has a molecular weight of 293.50 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-sulfanylidene-(2,4,6-trichlorophenoxy)-λ5-phosphane is sourced from PubChem (CID 87564961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).