ethanesulfonic acid;formic acid

C3H8O5S — CID 87503053

IUPACethanesulfonic acid;formic acid
SMILESCCS(=O)(=O)O.O=CO
InChIInChI=1S/C2H6O3S.CH2O2/c1-2-6(3,4)5;2-1-3/h2H2,1H3,(H,3,4,5);1H,(H,2,3)
InChIKeyRATDTFKSUHXONC-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.41
Rot. Bonds1

About ethanesulfonic acid;formic acid

ethanesulfonic acid;formic acid (PubChem CID 87503053) has the molecular formula C3H8O5S and a molecular weight of 156.16 g/mol. Its IUPAC name is ethanesulfonic acid;formic acid.

Molecular Properties

Compound Nameethanesulfonic acid;formic acid
PubChem CID87503053
Molecular FormulaC3H8O5S
Molecular Weight156.16 g/mol
Exact Mass156.01
IUPAC Nameethanesulfonic acid;formic acid
SMILESCCS(=O)(=O)O.O=CO
InChIInChI=1S/C2H6O3S.CH2O2/c1-2-6(3,4)5;2-1-3/h2H2,1H3,(H,3,4,5);1H,(H,2,3)
InChIKeyRATDTFKSUHXONC-UHFFFAOYSA-N
XLogP-0.41
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethanesulfonic acid;zinc
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CID 172802604
CID 172802604
butane;ethanesulfonic acid;propane
CID 174496199
ethanesulfonic acid;ethanethiol
CID 22731724
ethanesulfonic acid;urea
CID 159375044
ethanesulfonic acid;pentane
CID 174496196
ethanesulfonic acid;prop-2-en-1-amine
CID 87401120
ethanesulfonic acid;propane-1,3-diol
CID 87127973
N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016

Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;formic acid?
The IUPAC name of ethanesulfonic acid;formic acid (CID 87503053) is ethanesulfonic acid;formic acid.
What is the SMILES notation for ethanesulfonic acid;formic acid?
The canonical SMILES for ethanesulfonic acid;formic acid is CCS(=O)(=O)O.O=CO.
What is the InChIKey of ethanesulfonic acid;formic acid?
The InChIKey is RATDTFKSUHXONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.CH2O2/c1-2-6(3,4)5;2-1-3/h2H2,1H3,(H,3,4,5);1H,(H,2,3).
What are the key properties of ethanesulfonic acid;formic acid?
ethanesulfonic acid;formic acid has a molecular weight of 156.16 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;formic acid is sourced from PubChem (CID 87503053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).