1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane

C8H19O4PS2 — CID 17240

IUPAC1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
SMILESCCOP(=O)(OCC)SCCS(=O)CC
InChIInChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3
InChIKeyRWRHZQVSYSDUSM-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.67
Rot. Bonds9

About 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane

1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane (PubChem CID 17240) has the molecular formula C8H19O4PS2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane.

Molecular Properties

Compound Name1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
PubChem CID17240
Molecular FormulaC8H19O4PS2
Molecular Weight274.34 g/mol
Exact Mass274.05
IUPAC Name1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane
SMILESCCOP(=O)(OCC)SCCS(=O)CC
InChIInChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3
InChIKeyRWRHZQVSYSDUSM-UHFFFAOYSA-N
XLogP2.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
The IUPAC name of 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane (CID 17240) is 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane.
What is the SMILES notation for 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
The canonical SMILES for 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane is CCOP(=O)(OCC)SCCS(=O)CC.
What is the InChIKey of 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
The InChIKey is RWRHZQVSYSDUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane has a molecular weight of 274.34 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylsulfanyl-2-ethylsulfinylethane is sourced from PubChem (CID 17240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).