2-(2-oxooxolan-3-yl)sulfanylacetic acid

C6H8O4S — CID 43091431

IUPAC2-(2-oxooxolan-3-yl)sulfanylacetic acid
SMILESO=C(O)CSC1CCOC1=O
InChIInChI=1S/C6H8O4S/c7-5(8)3-11-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8)
InChIKeyGANJLVLIAPOZOA-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.12
Rot. Bonds3

About 2-(2-oxooxolan-3-yl)sulfanylacetic acid

2-(2-oxooxolan-3-yl)sulfanylacetic acid (PubChem CID 43091431) has the molecular formula C6H8O4S and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(2-oxooxolan-3-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2-oxooxolan-3-yl)sulfanylacetic acid
PubChem CID43091431
Molecular FormulaC6H8O4S
Molecular Weight176.19 g/mol
Exact Mass176.01
IUPAC Name2-(2-oxooxolan-3-yl)sulfanylacetic acid
SMILESO=C(O)CSC1CCOC1=O
InChIInChI=1S/C6H8O4S/c7-5(8)3-11-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8)
InChIKeyGANJLVLIAPOZOA-UHFFFAOYSA-N
XLogP0.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxooxolan-3-yl)sulfanylacetic acid?
The IUPAC name of 2-(2-oxooxolan-3-yl)sulfanylacetic acid (CID 43091431) is 2-(2-oxooxolan-3-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2-oxooxolan-3-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2-oxooxolan-3-yl)sulfanylacetic acid is O=C(O)CSC1CCOC1=O.
What is the InChIKey of 2-(2-oxooxolan-3-yl)sulfanylacetic acid?
The InChIKey is GANJLVLIAPOZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S/c7-5(8)3-11-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8).
What are the key properties of 2-(2-oxooxolan-3-yl)sulfanylacetic acid?
2-(2-oxooxolan-3-yl)sulfanylacetic acid has a molecular weight of 176.19 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxolan-3-yl)sulfanylacetic acid is sourced from PubChem (CID 43091431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).