1-hydroxyethenesulfinic acid

C2H4O3S — CID 58122076

IUPAC1-hydroxyethenesulfinic acid
SMILESC=C(O)S(=O)O
InChIInChI=1S/C2H4O3S/c1-2(3)6(4)5/h3H,1H2,(H,4,5)
InChIKeyCRUPODKLIFBEDJ-UHFFFAOYSA-N
MW108.12 g/mol
LogP0.24
Rot. Bonds1

About 1-hydroxyethenesulfinic acid

1-hydroxyethenesulfinic acid (PubChem CID 58122076) has the molecular formula C2H4O3S and a molecular weight of 108.12 g/mol. Its IUPAC name is 1-hydroxyethenesulfinic acid.

Molecular Properties

Compound Name1-hydroxyethenesulfinic acid
PubChem CID58122076
Molecular FormulaC2H4O3S
Molecular Weight108.12 g/mol
Exact Mass107.99
IUPAC Name1-hydroxyethenesulfinic acid
SMILESC=C(O)S(=O)O
InChIInChI=1S/C2H4O3S/c1-2(3)6(4)5/h3H,1H2,(H,4,5)
InChIKeyCRUPODKLIFBEDJ-UHFFFAOYSA-N
XLogP0.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-(sulfinoamino)prop-2-enoic acid
CID 91135550
carbonic acid;sulfane;sulfurous acid
CID 88746188
potassium;hydrogen peroxide;hydrogen sulfite
CID 174371450
iron;sulfurous acid
CID 175438968
CID 162004424
CID 162004424
hydron;sulfurous acid
CID 173020149
CID 139595971
CID 139595971
phosphane;sulfurous acid
CID 173229936
arsane;sulfurous acid
CID 173343664
CID 86742114
CID 86742114
2-sulfinooxyprop-2-enoic acid
CID 57470506
ethane;hydrogen sulfite;2-methylprop-2-enoic acid
CID 174520985

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethenesulfinic acid?
The IUPAC name of 1-hydroxyethenesulfinic acid (CID 58122076) is 1-hydroxyethenesulfinic acid.
What is the SMILES notation for 1-hydroxyethenesulfinic acid?
The canonical SMILES for 1-hydroxyethenesulfinic acid is C=C(O)S(=O)O.
What is the InChIKey of 1-hydroxyethenesulfinic acid?
The InChIKey is CRUPODKLIFBEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S/c1-2(3)6(4)5/h3H,1H2,(H,4,5).
What are the key properties of 1-hydroxyethenesulfinic acid?
1-hydroxyethenesulfinic acid has a molecular weight of 108.12 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethenesulfinic acid is sourced from PubChem (CID 58122076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).