4-hydroxy-1,1-dioxothiolane-3-carboxylic acid

C5H8O5S — CID 65416828

IUPAC4-hydroxy-1,1-dioxothiolane-3-carboxylic acid
SMILESO=C(O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C5H8O5S/c6-4-2-11(9,10)1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyGXEJAMCYHXCSGU-UHFFFAOYSA-N
MW180.18 g/mol
LogP-1.52
Rot. Bonds1

About 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid

4-hydroxy-1,1-dioxothiolane-3-carboxylic acid (PubChem CID 65416828) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1,1-dioxothiolane-3-carboxylic acid
PubChem CID65416828
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name4-hydroxy-1,1-dioxothiolane-3-carboxylic acid
SMILESO=C(O)C1CS(=O)(=O)CC1O
InChIInChI=1S/C5H8O5S/c6-4-2-11(9,10)1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyGXEJAMCYHXCSGU-UHFFFAOYSA-N
XLogP-1.52
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid (CID 65416828) is 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid is O=C(O)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid?
The InChIKey is GXEJAMCYHXCSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S/c6-4-2-11(9,10)1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8).
What are the key properties of 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid?
4-hydroxy-1,1-dioxothiolane-3-carboxylic acid has a molecular weight of 180.18 g/mol, XLogP of -1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1,1-dioxothiolane-3-carboxylic acid is sourced from PubChem (CID 65416828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).