diethyl sulfate

C4H10O4S — CID 6163

IUPACdiethyl sulfate
SMILESCCOS(=O)(=O)OCC
InChIInChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
InChIKeyDENRZWYUOJLTMF-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.30
Rot. Bonds4

About diethyl sulfate

diethyl sulfate (PubChem CID 6163) has the molecular formula C4H10O4S and a molecular weight of 154.19 g/mol. Its IUPAC name is diethyl sulfate.

Molecular Properties

Compound Namediethyl sulfate
PubChem CID6163
Molecular FormulaC4H10O4S
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Namediethyl sulfate
SMILESCCOS(=O)(=O)OCC
InChIInChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
InChIKeyDENRZWYUOJLTMF-UHFFFAOYSA-N
XLogP0.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfurous acid, diethyl ester
CID 12197
Sulfuric acid, dipropyl ester
CID 69015
Diisopropyl sulfate
CID 18096
Sulfuric acid, ethyl methyl ester
CID 69945
Butyl sulfate
CID 4437320
Ethyl sulfate anion
CID 3804841
Sulfuric acid, monobutyl ester, sodium salt (1:1)
CID 23677966
Ethyl ethylene sulfate
CID 150173
ethyl hydrogen sulphate, nickel(2+) salt
CID 56843838
Diethyl sulfate-d10
CID 71309939
Ethyl sulfate;hydron
CID 57448826
Butyl ethyl sulfate
CID 79979

Frequently Asked Questions

What is the IUPAC name of diethyl sulfate?
The IUPAC name of diethyl sulfate (CID 6163) is diethyl sulfate.
What is the SMILES notation for diethyl sulfate?
The canonical SMILES for diethyl sulfate is CCOS(=O)(=O)OCC.
What is the InChIKey of diethyl sulfate?
The InChIKey is DENRZWYUOJLTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3.
What are the key properties of diethyl sulfate?
diethyl sulfate has a molecular weight of 154.19 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl sulfate is sourced from PubChem (CID 6163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).