(3R)-1,1-dioxothiolane-3-carboxylic acid

C5H8O4S — CID 7130789

IUPAC(3R)-1,1-dioxothiolane-3-carboxylic acid
SMILESO=C(O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H8O4S/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKeyASRQWTBGINUTIX-BYPYZUCNSA-N
MW164.18 g/mol
LogP-0.49
Rot. Bonds1

About (3R)-1,1-dioxothiolane-3-carboxylic acid

(3R)-1,1-dioxothiolane-3-carboxylic acid (PubChem CID 7130789) has the molecular formula C5H8O4S and a molecular weight of 164.18 g/mol. Its IUPAC name is (3R)-1,1-dioxothiolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1,1-dioxothiolane-3-carboxylic acid
PubChem CID7130789
Molecular FormulaC5H8O4S
Molecular Weight164.18 g/mol
Exact Mass164.01
IUPAC Name(3R)-1,1-dioxothiolane-3-carboxylic acid
SMILESO=C(O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C5H8O4S/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
InChIKeyASRQWTBGINUTIX-BYPYZUCNSA-N
XLogP-0.49
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-dioxothiolane-3-carboxylic acid?
The IUPAC name of (3R)-1,1-dioxothiolane-3-carboxylic acid (CID 7130789) is (3R)-1,1-dioxothiolane-3-carboxylic acid.
What is the SMILES notation for (3R)-1,1-dioxothiolane-3-carboxylic acid?
The canonical SMILES for (3R)-1,1-dioxothiolane-3-carboxylic acid is O=C(O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-1,1-dioxothiolane-3-carboxylic acid?
The InChIKey is ASRQWTBGINUTIX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8O4S/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1.
What are the key properties of (3R)-1,1-dioxothiolane-3-carboxylic acid?
(3R)-1,1-dioxothiolane-3-carboxylic acid has a molecular weight of 164.18 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-dioxothiolane-3-carboxylic acid is sourced from PubChem (CID 7130789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).