1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane

C6H15O5PS2 — CID 28213

IUPAC1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane
SMILESCCS(=O)(=O)CCSP(=O)(OC)OC
InChIInChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3
InChIKeyPZIRJMYRYORVIT-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.56
Rot. Bonds7

About 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane

1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane (PubChem CID 28213) has the molecular formula C6H15O5PS2 and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane.

Molecular Properties

Compound Name1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane
PubChem CID28213
Molecular FormulaC6H15O5PS2
Molecular Weight262.29 g/mol
Exact Mass262.01
IUPAC Name1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane
SMILESCCS(=O)(=O)CCSP(=O)(OC)OC
InChIInChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3
InChIKeyPZIRJMYRYORVIT-UHFFFAOYSA-N
XLogP1.56
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.56
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-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
The IUPAC name of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane (CID 28213) is 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane.
What is the SMILES notation for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
The canonical SMILES for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane is CCS(=O)(=O)CCSP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
The InChIKey is PZIRJMYRYORVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3.
What are the key properties of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane?
1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane has a molecular weight of 262.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane is sourced from PubChem (CID 28213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).