5-hydroxythiolane-3-carboxylic acid

C5H8O3S — CID 154826534

IUPAC5-hydroxythiolane-3-carboxylic acid
SMILESO=C(O)C1CSC(O)C1
InChIInChI=1S/C5H8O3S/c6-4-1-3(2-9-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyLOQKVDVYNNRGCA-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.14
Rot. Bonds1

About 5-hydroxythiolane-3-carboxylic acid

5-hydroxythiolane-3-carboxylic acid (PubChem CID 154826534) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 5-hydroxythiolane-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxythiolane-3-carboxylic acid
PubChem CID154826534
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name5-hydroxythiolane-3-carboxylic acid
SMILESO=C(O)C1CSC(O)C1
InChIInChI=1S/C5H8O3S/c6-4-1-3(2-9-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKeyLOQKVDVYNNRGCA-UHFFFAOYSA-N
XLogP0.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxythiolane-3-carboxylic acid?
The IUPAC name of 5-hydroxythiolane-3-carboxylic acid (CID 154826534) is 5-hydroxythiolane-3-carboxylic acid.
What is the SMILES notation for 5-hydroxythiolane-3-carboxylic acid?
The canonical SMILES for 5-hydroxythiolane-3-carboxylic acid is O=C(O)C1CSC(O)C1.
What is the InChIKey of 5-hydroxythiolane-3-carboxylic acid?
The InChIKey is LOQKVDVYNNRGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-4-1-3(2-9-4)5(7)8/h3-4,6H,1-2H2,(H,7,8).
What are the key properties of 5-hydroxythiolane-3-carboxylic acid?
5-hydroxythiolane-3-carboxylic acid has a molecular weight of 148.18 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxythiolane-3-carboxylic acid is sourced from PubChem (CID 154826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).