(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

C11H16ClOPS3 — CID 3047937

IUPAC(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)SCSc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClOPS3/c1-3-13-14(15,4-2)17-9-16-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyUFZQGFOZESGELH-UHFFFAOYSA-N
MW326.88 g/mol
LogP5.49
Rot. Bonds7

About (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane

(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane (PubChem CID 3047937) has the molecular formula C11H16ClOPS3 and a molecular weight of 326.88 g/mol. Its IUPAC name is (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
PubChem CID3047937
Molecular FormulaC11H16ClOPS3
Molecular Weight326.88 g/mol
Exact Mass325.98
IUPAC Name(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)SCSc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClOPS3/c1-3-13-14(15,4-2)17-9-16-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKeyUFZQGFOZESGELH-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.88
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-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 (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane (CID 3047937) is (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane is CCOP(=S)(CC)SCSc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
The InChIKey is UFZQGFOZESGELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClOPS3/c1-3-13-14(15,4-2)17-9-16-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane?
(4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane has a molecular weight of 326.88 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)sulfanylmethylsulfanyl-ethoxy-ethyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3047937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).