ethyl hydrogen sulfate;sulfur dioxide

C2H6O6S2 — CID 87878952

IUPACethyl hydrogen sulfate;sulfur dioxide
SMILESCCOS(=O)(=O)O.O=S=O
InChIInChI=1S/C2H6O4S.O2S/c1-2-6-7(3,4)5;1-3-2/h2H2,1H3,(H,3,4,5);
InChIKeyIYTBMFDIKXGJSV-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.84
Rot. Bonds2

About ethyl hydrogen sulfate;sulfur dioxide

ethyl hydrogen sulfate;sulfur dioxide (PubChem CID 87878952) has the molecular formula C2H6O6S2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl hydrogen sulfate;sulfur dioxide.

Molecular Properties

Compound Nameethyl hydrogen sulfate;sulfur dioxide
PubChem CID87878952
Molecular FormulaC2H6O6S2
Molecular Weight190.20 g/mol
Exact Mass189.96
IUPAC Nameethyl hydrogen sulfate;sulfur dioxide
SMILESCCOS(=O)(=O)O.O=S=O
InChIInChI=1S/C2H6O4S.O2S/c1-2-6-7(3,4)5;1-3-2/h2H2,1H3,(H,3,4,5);
InChIKeyIYTBMFDIKXGJSV-UHFFFAOYSA-N
XLogP-0.84
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethyl hydrogen sulfate
CID 6004
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
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CID 175068530
ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate
CID 87749122
azane;ethyl hydrogen sulfate;2-methylprop-2-enoic acid
CID 174841515
amino formate;ethyl hydrogen sulfate
CID 174576727
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997
ethyl hydrogen sulfate;tributyl(ethyl)azanium
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CID 87964980
CID 87964980
diethyl sulfate;sulfuric acid
CID 158458335
ethyl hydrogen sulfate;methyl butanoate
CID 87354898

Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen sulfate;sulfur dioxide?
The IUPAC name of ethyl hydrogen sulfate;sulfur dioxide (CID 87878952) is ethyl hydrogen sulfate;sulfur dioxide.
What is the SMILES notation for ethyl hydrogen sulfate;sulfur dioxide?
The canonical SMILES for ethyl hydrogen sulfate;sulfur dioxide is CCOS(=O)(=O)O.O=S=O.
What is the InChIKey of ethyl hydrogen sulfate;sulfur dioxide?
The InChIKey is IYTBMFDIKXGJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S.O2S/c1-2-6-7(3,4)5;1-3-2/h2H2,1H3,(H,3,4,5);.
What are the key properties of ethyl hydrogen sulfate;sulfur dioxide?
ethyl hydrogen sulfate;sulfur dioxide has a molecular weight of 190.20 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen sulfate;sulfur dioxide is sourced from PubChem (CID 87878952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).