ethanol;sulfuric acid;hydrate

C2H10O6S — CID 86634241

IUPACethanol;sulfuric acid;hydrate
SMILESCCO.O.O=S(=O)(O)O
InChIInChI=1S/C2H6O.H2O4S.H2O/c1-2-3;1-5(2,3)4;/h3H,2H2,1H3;(H2,1,2,3,4);1H2
InChIKeySGSTVZSRRYFUBD-UHFFFAOYSA-N
MW162.16 g/mol
LogP-1.48
Rot. Bonds

About ethanol;sulfuric acid;hydrate

ethanol;sulfuric acid;hydrate (PubChem CID 86634241) has the molecular formula C2H10O6S and a molecular weight of 162.16 g/mol. Its IUPAC name is ethanol;sulfuric acid;hydrate.

Molecular Properties

Compound Nameethanol;sulfuric acid;hydrate
PubChem CID86634241
Molecular FormulaC2H10O6S
Molecular Weight162.16 g/mol
Exact Mass162.02
IUPAC Nameethanol;sulfuric acid;hydrate
SMILESCCO.O.O=S(=O)(O)O
InChIInChI=1S/C2H6O.H2O4S.H2O/c1-2-3;1-5(2,3)4;/h3H,2H2,1H3;(H2,1,2,3,4);1H2
InChIKeySGSTVZSRRYFUBD-UHFFFAOYSA-N
XLogP-1.48
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethanol;sulfuric acid;hydrate?
The IUPAC name of ethanol;sulfuric acid;hydrate (CID 86634241) is ethanol;sulfuric acid;hydrate.
What is the SMILES notation for ethanol;sulfuric acid;hydrate?
The canonical SMILES for ethanol;sulfuric acid;hydrate is CCO.O.O=S(=O)(O)O.
What is the InChIKey of ethanol;sulfuric acid;hydrate?
The InChIKey is SGSTVZSRRYFUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.H2O4S.H2O/c1-2-3;1-5(2,3)4;/h3H,2H2,1H3;(H2,1,2,3,4);1H2.
What are the key properties of ethanol;sulfuric acid;hydrate?
ethanol;sulfuric acid;hydrate has a molecular weight of 162.16 g/mol, XLogP of -1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;sulfuric acid;hydrate is sourced from PubChem (CID 86634241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).