1-ethoxysulfonylsulfonyloxypropane

C5H12O6S2 — CID 90767531

IUPAC1-ethoxysulfonylsulfonyloxypropane
SMILESCCCOS(=O)(=O)S(=O)(=O)OCC
InChIInChI=1S/C5H12O6S2/c1-3-5-11-13(8,9)12(6,7)10-4-2/h3-5H2,1-2H3
InChIKeyXEZMWEWMZKFXAH-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.02
Rot. Bonds6

About 1-ethoxysulfonylsulfonyloxypropane

1-ethoxysulfonylsulfonyloxypropane (PubChem CID 90767531) has the molecular formula C5H12O6S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-ethoxysulfonylsulfonyloxypropane.

Molecular Properties

Compound Name1-ethoxysulfonylsulfonyloxypropane
PubChem CID90767531
Molecular FormulaC5H12O6S2
Molecular Weight232.28 g/mol
Exact Mass232.01
IUPAC Name1-ethoxysulfonylsulfonyloxypropane
SMILESCCCOS(=O)(=O)S(=O)(=O)OCC
InChIInChI=1S/C5H12O6S2/c1-3-5-11-13(8,9)12(6,7)10-4-2/h3-5H2,1-2H3
InChIKeyXEZMWEWMZKFXAH-UHFFFAOYSA-N
XLogP0.02
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl propyl sulfate;hydrochloride
CID 175489043
propyl propane-2-sulfonate
CID 19702370
propyl hydrogen sulfate;hydrate
CID 88639002
methanamine;propyl hydrogen sulfate
CID 174898654
ethanamine;propyl methanesulfonate
CID 91463182
azane;propyl pentane-2-sulfonate
CID 174806625
2-fluoroethyl propyl sulfate
CID 166171774
propyl butane-1-sulfonate
CID 12843900
propyl azanylidynemethanesulfonate
CID 89251531
CID 159839688
CID 159839688
1-O-methyl 1-O'-propyl propane-1,1-disulfonate
CID 174850262
dimethylamino propyl sulfate
CID 165093192

Frequently Asked Questions

What is the IUPAC name of 1-ethoxysulfonylsulfonyloxypropane?
The IUPAC name of 1-ethoxysulfonylsulfonyloxypropane (CID 90767531) is 1-ethoxysulfonylsulfonyloxypropane.
What is the SMILES notation for 1-ethoxysulfonylsulfonyloxypropane?
The canonical SMILES for 1-ethoxysulfonylsulfonyloxypropane is CCCOS(=O)(=O)S(=O)(=O)OCC.
What is the InChIKey of 1-ethoxysulfonylsulfonyloxypropane?
The InChIKey is XEZMWEWMZKFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O6S2/c1-3-5-11-13(8,9)12(6,7)10-4-2/h3-5H2,1-2H3.
What are the key properties of 1-ethoxysulfonylsulfonyloxypropane?
1-ethoxysulfonylsulfonyloxypropane has a molecular weight of 232.28 g/mol, XLogP of 0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxysulfonylsulfonyloxypropane is sourced from PubChem (CID 90767531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).