acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid

C8H17N2O6S+ — CID 139449922

IUPACacetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
SMILESCC(=O)O.CCn1cc[n+](C)c1.O=S(=O)(O)O
InChIInChI=1S/C6H11N2.C2H4O2.H2O4S/c1-3-8-5-4-7(2)6-8;1-2(3)4;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4);(H2,1,2,3,4)/q+1;;
InChIKeyRXNXGSQZPHRJFW-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds1

About acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid

acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid (PubChem CID 139449922) has the molecular formula C8H17N2O6S+ and a molecular weight of 269.30 g/mol. Its IUPAC name is acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid.

Molecular Properties

Compound Nameacetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
PubChem CID139449922
Molecular FormulaC8H17N2O6S+
Molecular Weight269.30 g/mol
Exact Mass269.08
IUPAC Nameacetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
SMILESCC(=O)O.CCn1cc[n+](C)c1.O=S(=O)(O)O
InChIInChI=1S/C6H11N2.C2H4O2.H2O4S/c1-3-8-5-4-7(2)6-8;1-2(3)4;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4);(H2,1,2,3,4)/q+1;;
InChIKeyRXNXGSQZPHRJFW-UHFFFAOYSA-N
XLogP-0.23
TPSA120.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate;sulfur monoxide
CID 160555580
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
acetyl sulfate;1-ethyl-3-methylimidazol-3-ium
CID 139449923
1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
CID 87337810
(2S)-2-aminopropanoic acid;1-ethyl-3-methylimidazol-3-ium
CID 87299363
1-ethyl-3-methylimidazol-3-ium;pentanedioic acid;acetate
CID 175511750
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
bis(bis(trifluoromethylsulfonyl)azanide);bis(1-ethyl-3-methylimidazol-3-ium)
CID 139195180
CID 87529717
CID 87529717

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid?
The IUPAC name of acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid (CID 139449922) is acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid.
What is the SMILES notation for acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid?
The canonical SMILES for acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid is CC(=O)O.CCn1cc[n+](C)c1.O=S(=O)(O)O.
What is the InChIKey of acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid?
The InChIKey is RXNXGSQZPHRJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.C2H4O2.H2O4S/c1-3-8-5-4-7(2)6-8;1-2(3)4;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,3,4);(H2,1,2,3,4)/q+1;;.
What are the key properties of acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid?
acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid is sourced from PubChem (CID 139449922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).