ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane

C7H17OPS — CID 2784422

IUPACethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane
SMILESCCOCP(=S)(CC)CC
InChIInChI=1S/C7H17OPS/c1-4-8-7-9(10,5-2)6-3/h4-7H2,1-3H3
InChIKeyGUCOZPOIHKAMCO-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.50
Rot. Bonds5

About ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane

ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane (PubChem CID 2784422) has the molecular formula C7H17OPS and a molecular weight of 180.25 g/mol. Its IUPAC name is ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane
PubChem CID2784422
Molecular FormulaC7H17OPS
Molecular Weight180.25 g/mol
Exact Mass180.07
IUPAC Nameethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane
SMILESCCOCP(=S)(CC)CC
InChIInChI=1S/C7H17OPS/c1-4-8-7-9(10,5-2)6-3/h4-7H2,1-3H3
InChIKeyGUCOZPOIHKAMCO-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethylphosphinothioylmethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane
CID 2785369
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
disodium;ethoxyethane
CID 23107014
ethoxyethane;pentahydrate
CID 141041283
ethoxyethane;hydrate
CID 22594236
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
CID 135083812
CID 135083812
aluminum;ethoxyethane;triiodide
CID 173390625

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane (CID 2784422) is ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane is CCOCP(=S)(CC)CC.
What is the InChIKey of ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane?
The InChIKey is GUCOZPOIHKAMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OPS/c1-4-8-7-9(10,5-2)6-3/h4-7H2,1-3H3.
What are the key properties of ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane?
ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane has a molecular weight of 180.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2784422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).