acetic acid;sulfuric acid

C4H12O12S2 — CID 158118264

IUPACacetic acid;sulfuric acid
SMILESCC(=O)O.CC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2C2H4O2.2H2O4S/c2*1-2(3)4;2*1-5(2,3)4/h2*1H3,(H,3,4);2*(H2,1,2,3,4)
InChIKeyFRHDCVJDWHZDHW-UHFFFAOYSA-N
MW316.26 g/mol
LogP-1.12
Rot. Bonds

About acetic acid;sulfuric acid

acetic acid;sulfuric acid (PubChem CID 158118264) has the molecular formula C4H12O12S2 and a molecular weight of 316.26 g/mol. Its IUPAC name is acetic acid;sulfuric acid.

Molecular Properties

Compound Nameacetic acid;sulfuric acid
PubChem CID158118264
Molecular FormulaC4H12O12S2
Molecular Weight316.26 g/mol
Exact Mass315.98
IUPAC Nameacetic acid;sulfuric acid
SMILESCC(=O)O.CC(=O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2C2H4O2.2H2O4S/c2*1-2(3)4;2*1-5(2,3)4/h2*1H3,(H,3,4);2*(H2,1,2,3,4)
InChIKeyFRHDCVJDWHZDHW-UHFFFAOYSA-N
XLogP-1.12
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;sulfuric acid
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CID 87972700
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CID 87083890
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CID 173196508
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CID 173099353
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CID 58759193
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Frequently Asked Questions

What is the IUPAC name of acetic acid;sulfuric acid?
The IUPAC name of acetic acid;sulfuric acid (CID 158118264) 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.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of acetic acid;sulfuric acid?
The InChIKey is FRHDCVJDWHZDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.2H2O4S/c2*1-2(3)4;2*1-5(2,3)4/h2*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 316.26 g/mol, XLogP of -1.12, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;sulfuric acid is sourced from PubChem (CID 158118264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).