ethanol;sulfur trioxide

C2H6O4S — CID 88617255

IUPACethanol;sulfur trioxide
SMILESCCO.O=S(=O)=O
InChIInChI=1S/C2H6O.O3S/c1-2-3;1-4(2)3/h3H,2H2,1H3;
InChIKeyYBKFOTBFLDZALD-UHFFFAOYSA-N
MW126.13 g/mol
LogP-1.01
Rot. Bonds

About ethanol;sulfur trioxide

ethanol;sulfur trioxide (PubChem CID 88617255) has the molecular formula C2H6O4S and a molecular weight of 126.13 g/mol. Its IUPAC name is ethanol;sulfur trioxide.

Molecular Properties

Compound Nameethanol;sulfur trioxide
PubChem CID88617255
Molecular FormulaC2H6O4S
Molecular Weight126.13 g/mol
Exact Mass126.00
IUPAC Nameethanol;sulfur trioxide
SMILESCCO.O=S(=O)=O
InChIInChI=1S/C2H6O.O3S/c1-2-3;1-4(2)3/h3H,2H2,1H3;
InChIKeyYBKFOTBFLDZALD-UHFFFAOYSA-N
XLogP-1.01
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethanol;sulfur trioxide?
The IUPAC name of ethanol;sulfur trioxide (CID 88617255) is ethanol;sulfur trioxide.
What is the SMILES notation for ethanol;sulfur trioxide?
The canonical SMILES for ethanol;sulfur trioxide is CCO.O=S(=O)=O.
What is the InChIKey of ethanol;sulfur trioxide?
The InChIKey is YBKFOTBFLDZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.O3S/c1-2-3;1-4(2)3/h3H,2H2,1H3;.
What are the key properties of ethanol;sulfur trioxide?
ethanol;sulfur trioxide has a molecular weight of 126.13 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;sulfur trioxide is sourced from PubChem (CID 88617255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).