diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane

C7H17O4PS — CID 3088673

IUPACdiethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OCCOC
InChIInChI=1S/C7H17O4PS/c1-4-9-12(13,10-5-2)11-7-6-8-3/h4-7H2,1-3H3
InChIKeyLITCSYZUADAWEW-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.95
Rot. Bonds8

About diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane

diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 3088673) has the molecular formula C7H17O4PS and a molecular weight of 228.25 g/mol. Its IUPAC name is diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
PubChem CID3088673
Molecular FormulaC7H17O4PS
Molecular Weight228.25 g/mol
Exact Mass228.06
IUPAC Namediethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OCCOC
InChIInChI=1S/C7H17O4PS/c1-4-9-12(13,10-5-2)11-7-6-8-3/h4-7H2,1-3H3
InChIKeyLITCSYZUADAWEW-UHFFFAOYSA-N
XLogP1.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane (CID 3088673) is diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)OCCOC.
What is the InChIKey of diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is LITCSYZUADAWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4PS/c1-4-9-12(13,10-5-2)11-7-6-8-3/h4-7H2,1-3H3.
What are the key properties of diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane?
diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 228.25 g/mol, XLogP of 1.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3088673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).