diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane

C8H21O3PSSi — CID 164728460

IUPACdiethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
SMILESCCOP(=S)(OCC)OC[Si](C)(C)C
InChIInChI=1S/C8H21O3PSSi/c1-6-9-12(13,10-7-2)11-8-14(3,4)5/h6-8H2,1-5H3
InChIKeyDSJWIOONLRWIBE-UHFFFAOYSA-N
MW256.38 g/mol
LogP3.18
Rot. Bonds7

About diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane

diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane (PubChem CID 164728460) has the molecular formula C8H21O3PSSi and a molecular weight of 256.38 g/mol. Its IUPAC name is diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
PubChem CID164728460
Molecular FormulaC8H21O3PSSi
Molecular Weight256.38 g/mol
Exact Mass256.07
IUPAC Namediethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
SMILESCCOP(=S)(OCC)OC[Si](C)(C)C
InChIInChI=1S/C8H21O3PSSi/c1-6-9-12(13,10-7-2)11-8-14(3,4)5/h6-8H2,1-5H3
InChIKeyDSJWIOONLRWIBE-UHFFFAOYSA-N
XLogP3.18
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane?
The IUPAC name of diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane (CID 164728460) is diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane.
What is the SMILES notation for diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane?
The canonical SMILES for diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane is CCOP(=S)(OCC)OC[Si](C)(C)C.
What is the InChIKey of diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane?
The InChIKey is DSJWIOONLRWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21O3PSSi/c1-6-9-12(13,10-7-2)11-8-14(3,4)5/h6-8H2,1-5H3.
What are the key properties of diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane?
diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane has a molecular weight of 256.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane is sourced from PubChem (CID 164728460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).