(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane

C10H14ClOPS2 — CID 54518407

IUPAC(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(CC)Sc1ccccc1Cl
InChIInChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyYOAJSHPUNSOHEG-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.80
Rot. Bonds5

About (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane

(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane (PubChem CID 54518407) has the molecular formula C10H14ClOPS2 and a molecular weight of 280.78 g/mol. Its IUPAC name is (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
PubChem CID54518407
Molecular FormulaC10H14ClOPS2
Molecular Weight280.78 g/mol
Exact Mass279.99
IUPAC Name(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(CC)Sc1ccccc1Cl
InChIInChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3
InChIKeyYOAJSHPUNSOHEG-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.80
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 (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane (CID 54518407) is (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane is CCOP(=S)(CC)Sc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane?
The InChIKey is YOAJSHPUNSOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClOPS2/c1-3-12-13(14,4-2)15-10-8-6-5-7-9(10)11/h5-8H,3-4H2,1-2H3.
What are the key properties of (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane?
(2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane has a molecular weight of 280.78 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)sulfanyl-ethoxy-ethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54518407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).