1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane

C8H19O3PS2 — CID 24723

IUPAC1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SMILESCCOP(=O)(OCC)SCCSCC
InChIInChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKeyGRPRVIYRYGLIJU-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.65
Rot. Bonds9

About 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane

1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane (PubChem CID 24723) has the molecular formula C8H19O3PS2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane.

Molecular Properties

Compound Name1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
PubChem CID24723
Molecular FormulaC8H19O3PS2
Molecular Weight258.34 g/mol
Exact Mass258.05
IUPAC Name1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SMILESCCOP(=O)(OCC)SCCSCC
InChIInChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKeyGRPRVIYRYGLIJU-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.65
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'}

Analyze 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane 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 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The IUPAC name of 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane (CID 24723) is 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane.
What is the SMILES notation for 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The canonical SMILES for 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane is CCOP(=O)(OCC)SCCSCC.
What is the InChIKey of 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
The InChIKey is GRPRVIYRYGLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane?
1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane has a molecular weight of 258.34 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane is sourced from PubChem (CID 24723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).