acetic acid;sulfuric acid

C6H16O14S2 — CID 172861121

IUPACacetic acid;sulfuric acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/3C2H4O2.2H2O4S/c3*1-2(3)4;2*1-5(2,3)4/h3*1H3,(H,3,4);2*(H2,1,2,3,4)
InChIKeyZJEKTDFUGXZNAC-UHFFFAOYSA-N
MW376.31 g/mol
LogP-1.03
Rot. Bonds

About acetic acid;sulfuric acid

acetic acid;sulfuric acid (PubChem CID 172861121) has the molecular formula C6H16O14S2 and a molecular weight of 376.31 g/mol. Its IUPAC name is acetic acid;sulfuric acid.

Molecular Properties

Compound Nameacetic acid;sulfuric acid
PubChem CID172861121
Molecular FormulaC6H16O14S2
Molecular Weight376.31 g/mol
Exact Mass376.00
IUPAC Nameacetic acid;sulfuric acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/3C2H4O2.2H2O4S/c3*1-2(3)4;2*1-5(2,3)4/h3*1H3,(H,3,4);2*(H2,1,2,3,4)
InChIKeyZJEKTDFUGXZNAC-UHFFFAOYSA-N
XLogP-1.03
TPSA261.10 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.31
LogP ≤ 5-1.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;sulfuric acid
CID 158118264
acetic acid;sulfuric acid
CID 157312003
CID 87972700
CID 87972700
calcium;acetic acid;alumane;hydride;sulfuric acid
CID 175212602
acetic acid
CID 158444727
dilithium;carbonic acid;hydride;sulfuric acid
CID 173345515
acetic acid;sulfanediol
CID 87083890
dialuminum;dicalcium;heptazinc;acetic acid;bis(barium(2+));carbonic acid;oxygen(2-);sulfuric acid;pentahydrate;tetrahydrochloride
CID 173394816
sodium;acetic acid;azane;hydrogen sulfate;hydrochloride
CID 173196508
calcium;sulfuric acid;diacetate
CID 173099353
acetic acid;palladium
CID 58759193
acetic acid;ruthenium
CID 175502908

Frequently Asked Questions

What is the IUPAC name of acetic acid;sulfuric acid?
The IUPAC name of acetic acid;sulfuric acid (CID 172861121) is acetic acid;sulfuric acid.
What is the SMILES notation for acetic acid;sulfuric acid?
The canonical SMILES for acetic acid;sulfuric acid is CC(=O)O.CC(=O)O.CC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of acetic acid;sulfuric acid?
The InChIKey is ZJEKTDFUGXZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.2H2O4S/c3*1-2(3)4;2*1-5(2,3)4/h3*1H3,(H,3,4);2*(H2,1,2,3,4).
What are the key properties of acetic acid;sulfuric acid?
acetic acid;sulfuric acid has a molecular weight of 376.31 g/mol, XLogP of -1.03, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;sulfuric acid is sourced from PubChem (CID 172861121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).