ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane

C10H15OPS2 — CID 13676

IUPACethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)Sc1ccccc1
InChIInChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyKVGLBTYUCJYMND-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.14
Rot. Bonds5

About ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane

ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 13676) has the molecular formula C10H15OPS2 and a molecular weight of 246.34 g/mol. Its IUPAC name is ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID13676
Molecular FormulaC10H15OPS2
Molecular Weight246.34 g/mol
Exact Mass246.03
IUPAC Nameethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)Sc1ccccc1
InChIInChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyKVGLBTYUCJYMND-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.14
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 ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane (CID 13676) is ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane is CCOP(=S)(CC)Sc1ccccc1.
What is the InChIKey of ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is KVGLBTYUCJYMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane?
ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 246.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).