ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane

C11H17OPS2 — CID 23616808

IUPACethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(CC)Sc1ccc(C)cc1
InChIInChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyNBOFCNFKEBLKTL-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.45
Rot. Bonds5

About ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane

ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 23616808) has the molecular formula C11H17OPS2 and a molecular weight of 260.36 g/mol. Its IUPAC name is ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID23616808
Molecular FormulaC11H17OPS2
Molecular Weight260.36 g/mol
Exact Mass260.05
IUPAC Nameethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(CC)Sc1ccc(C)cc1
InChIInChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3
InChIKeyNBOFCNFKEBLKTL-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.45
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-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane (CID 23616808) is ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane is CCOP(=S)(CC)Sc1ccc(C)cc1.
What is the InChIKey of ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is NBOFCNFKEBLKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17OPS2/c1-4-12-13(14,5-2)15-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3.
What are the key properties of ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane?
ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 260.36 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-(4-methylphenyl)sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23616808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).