[1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane

C14H30O6P2S2 — CID 2826910

IUPAC[1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OCC1(COP(=S)(OCC)OCC)CCC1
InChIInChI=1S/C14H30O6P2S2/c1-5-15-21(23,16-6-2)19-12-14(10-9-11-14)13-20-22(24,17-7-3)18-8-4/h5-13H2,1-4H3
InChIKeyZBNKTENDOGUMQT-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.78
Rot. Bonds14

About [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane

[1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 2826910) has the molecular formula C14H30O6P2S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name[1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID2826910
Molecular FormulaC14H30O6P2S2
Molecular Weight420.47 g/mol
Exact Mass420.10
IUPAC Name[1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)OCC1(COP(=S)(OCC)OCC)CCC1
InChIInChI=1S/C14H30O6P2S2/c1-5-15-21(23,16-6-2)19-12-14(10-9-11-14)13-20-22(24,17-7-3)18-8-4/h5-13H2,1-4H3
InChIKeyZBNKTENDOGUMQT-UHFFFAOYSA-N
XLogP4.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(ethoxymethyl)-1-(methoxymethyl)cyclobutane
CID 122494327
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;methoxymethane
CID 87974989
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
1-ethyl-1-[(1-ethylcyclobutyl)methoxymethyl]cyclobutane
CID 59817053
1,1-bis(propan-2-yloxymethyl)cyclobutane
CID 141062345
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290
acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 88652694
diethoxy-sulfanylidene-(2,3,3-trichlorooxan-2-yl)sulfanyl-lambda5-phosphane
CID 3047552
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
CID 87872569
2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
CID 3063122
N-[[1-(ethoxymethyl)cyclopentyl]methyl]ethanamine
CID 103984503
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615

Frequently Asked Questions

What is the IUPAC name of [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane (CID 2826910) is [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)OCC1(COP(=S)(OCC)OCC)CCC1.
What is the InChIKey of [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is ZBNKTENDOGUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6P2S2/c1-5-15-21(23,16-6-2)19-12-14(10-9-11-14)13-20-22(24,17-7-3)18-8-4/h5-13H2,1-4H3.
What are the key properties of [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane?
[1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 420.47 g/mol, XLogP of 4.78, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethoxyphosphinothioyloxymethyl)cyclobutyl]methoxy-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2826910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).