ethane;hydrogen sulfite;2-methylprop-2-enoic acid

C6H13O5S- — CID 174520985

IUPACethane;hydrogen sulfite;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC.O=S([O-])O
InChIInChI=1S/C4H6O2.C2H6.H2O3S/c1-3(2)4(5)6;1-2;1-4(2)3/h1H2,2H3,(H,5,6);1-2H3;(H2,1,2,3)/p-1
InChIKeyFGABPSXDRJSCGI-UHFFFAOYSA-M
MW197.23 g/mol
LogP1.01
Rot. Bonds1

About ethane;hydrogen sulfite;2-methylprop-2-enoic acid

ethane;hydrogen sulfite;2-methylprop-2-enoic acid (PubChem CID 174520985) has the molecular formula C6H13O5S- and a molecular weight of 197.23 g/mol. Its IUPAC name is ethane;hydrogen sulfite;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameethane;hydrogen sulfite;2-methylprop-2-enoic acid
PubChem CID174520985
Molecular FormulaC6H13O5S-
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Nameethane;hydrogen sulfite;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC.O=S([O-])O
InChIInChI=1S/C4H6O2.C2H6.H2O3S/c1-3(2)4(5)6;1-2;1-4(2)3/h1H2,2H3,(H,5,6);1-2H3;(H2,1,2,3)/p-1
InChIKeyFGABPSXDRJSCGI-UHFFFAOYSA-M
XLogP1.01
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
potassium;acetic acid;hydrogen sulfite
CID 174668160
methanolate;bis(2-methylprop-2-enoic acid);titanium(2+)
CID 18781400
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
CID 131883821
CID 131883821
acetic acid;2-methylprop-2-enoic acid
CID 21426946
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606

Frequently Asked Questions

What is the IUPAC name of ethane;hydrogen sulfite;2-methylprop-2-enoic acid?
The IUPAC name of ethane;hydrogen sulfite;2-methylprop-2-enoic acid (CID 174520985) is ethane;hydrogen sulfite;2-methylprop-2-enoic acid.
What is the SMILES notation for ethane;hydrogen sulfite;2-methylprop-2-enoic acid?
The canonical SMILES for ethane;hydrogen sulfite;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC.O=S([O-])O.
What is the InChIKey of ethane;hydrogen sulfite;2-methylprop-2-enoic acid?
The InChIKey is FGABPSXDRJSCGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O2.C2H6.H2O3S/c1-3(2)4(5)6;1-2;1-4(2)3/h1H2,2H3,(H,5,6);1-2H3;(H2,1,2,3)/p-1.
What are the key properties of ethane;hydrogen sulfite;2-methylprop-2-enoic acid?
ethane;hydrogen sulfite;2-methylprop-2-enoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hydrogen sulfite;2-methylprop-2-enoic acid is sourced from PubChem (CID 174520985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).