1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane

C8H19O5PS2 — CID 17239

IUPAC1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
SMILESCCOP(=O)(OCC)SCCS(=O)(=O)CC
InChIInChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3
InChIKeyVMXCTQSDRPKAOC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.34
Rot. Bonds9

About 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane

1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane (PubChem CID 17239) has the molecular formula C8H19O5PS2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane.

Molecular Properties

Compound Name1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
PubChem CID17239
Molecular FormulaC8H19O5PS2
Molecular Weight290.34 g/mol
Exact Mass290.04
IUPAC Name1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane
SMILESCCOP(=O)(OCC)SCCS(=O)(=O)CC
InChIInChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3
InChIKeyVMXCTQSDRPKAOC-UHFFFAOYSA-N
XLogP2.34
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethylsulfonylethane?
The IUPAC name of 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane (CID 17239) is 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane.
What is the SMILES notation for 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
The canonical SMILES for 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane is CCOP(=O)(OCC)SCCS(=O)(=O)CC.
What is the InChIKey of 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
The InChIKey is VMXCTQSDRPKAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5PS2/c1-4-12-14(9,13-5-2)15-7-8-16(10,11)6-3/h4-8H2,1-3H3.
What are the key properties of 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane has a molecular weight of 290.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylsulfanyl-2-ethylsulfonylethane is sourced from PubChem (CID 17239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).