1-hydroxy-1-oxopropane-2-sulfinate

C3H5O4S- — CID 57235078

IUPAC1-hydroxy-1-oxopropane-2-sulfinate
SMILESCC(C(=O)O)S(=O)[O-]
InChIInChI=1S/C3H6O4S/c1-2(3(4)5)8(6)7/h2H,1H3,(H,4,5)(H,6,7)/p-1
InChIKeyVSOGFWLCXWJSOU-UHFFFAOYSA-M
MW137.14 g/mol
LogP-0.66
Rot. Bonds2

About 1-hydroxy-1-oxopropane-2-sulfinate

1-hydroxy-1-oxopropane-2-sulfinate (PubChem CID 57235078) has the molecular formula C3H5O4S- and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-hydroxy-1-oxopropane-2-sulfinate.

Molecular Properties

Compound Name1-hydroxy-1-oxopropane-2-sulfinate
PubChem CID57235078
Molecular FormulaC3H5O4S-
Molecular Weight137.14 g/mol
Exact Mass136.99
IUPAC Name1-hydroxy-1-oxopropane-2-sulfinate
SMILESCC(C(=O)O)S(=O)[O-]
InChIInChI=1S/C3H6O4S/c1-2(3(4)5)8(6)7/h2H,1H3,(H,4,5)(H,6,7)/p-1
InChIKeyVSOGFWLCXWJSOU-UHFFFAOYSA-M
XLogP-0.66
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-oxopropane-2-sulfinate?
The IUPAC name of 1-hydroxy-1-oxopropane-2-sulfinate (CID 57235078) is 1-hydroxy-1-oxopropane-2-sulfinate.
What is the SMILES notation for 1-hydroxy-1-oxopropane-2-sulfinate?
The canonical SMILES for 1-hydroxy-1-oxopropane-2-sulfinate is CC(C(=O)O)S(=O)[O-].
What is the InChIKey of 1-hydroxy-1-oxopropane-2-sulfinate?
The InChIKey is VSOGFWLCXWJSOU-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O4S/c1-2(3(4)5)8(6)7/h2H,1H3,(H,4,5)(H,6,7)/p-1.
What are the key properties of 1-hydroxy-1-oxopropane-2-sulfinate?
1-hydroxy-1-oxopropane-2-sulfinate has a molecular weight of 137.14 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-oxopropane-2-sulfinate is sourced from PubChem (CID 57235078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).