ethyl hydroxy sulfate

C2H6O5S — CID 22899344

IUPACethyl hydroxy sulfate
SMILESCCOS(=O)(=O)OO
InChIInChI=1S/C2H6O5S/c1-2-6-8(4,5)7-3/h3H,2H2,1H3
InChIKeyJSWZOMUQENLFBA-UHFFFAOYSA-N
MW142.13 g/mol
LogP-0.24
Rot. Bonds3

About ethyl hydroxy sulfate

ethyl hydroxy sulfate (PubChem CID 22899344) has the molecular formula C2H6O5S and a molecular weight of 142.13 g/mol. Its IUPAC name is ethyl hydroxy sulfate.

Molecular Properties

Compound Nameethyl hydroxy sulfate
PubChem CID22899344
Molecular FormulaC2H6O5S
Molecular Weight142.13 g/mol
Exact Mass141.99
IUPAC Nameethyl hydroxy sulfate
SMILESCCOS(=O)(=O)OO
InChIInChI=1S/C2H6O5S/c1-2-6-8(4,5)7-3/h3H,2H2,1H3
InChIKeyJSWZOMUQENLFBA-UHFFFAOYSA-N
XLogP-0.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl hydroxy sulfate?
The IUPAC name of ethyl hydroxy sulfate (CID 22899344) is ethyl hydroxy sulfate.
What is the SMILES notation for ethyl hydroxy sulfate?
The canonical SMILES for ethyl hydroxy sulfate is CCOS(=O)(=O)OO.
What is the InChIKey of ethyl hydroxy sulfate?
The InChIKey is JSWZOMUQENLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O5S/c1-2-6-8(4,5)7-3/h3H,2H2,1H3.
What are the key properties of ethyl hydroxy sulfate?
ethyl hydroxy sulfate has a molecular weight of 142.13 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydroxy sulfate is sourced from PubChem (CID 22899344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).