O-[(3S)-2-oxooxolan-3-yl] methanethioate

C5H6O3S — CID 91592474

IUPACO-[(3S)-2-oxooxolan-3-yl] methanethioate
SMILESO=C1OCC[C@@H]1OC=S
InChIInChI=1S/C5H6O3S/c6-5-4(8-3-9)1-2-7-5/h3-4H,1-2H2/t4-/m0/s1
InChIKeyBKOQWOCNVGNJKM-BYPYZUCNSA-N
MW146.17 g/mol
LogP0.28
Rot. Bonds2

About O-[(3S)-2-oxooxolan-3-yl] methanethioate

O-[(3S)-2-oxooxolan-3-yl] methanethioate (PubChem CID 91592474) has the molecular formula C5H6O3S and a molecular weight of 146.17 g/mol. Its IUPAC name is O-[(3S)-2-oxooxolan-3-yl] methanethioate.

Molecular Properties

Compound NameO-[(3S)-2-oxooxolan-3-yl] methanethioate
PubChem CID91592474
Molecular FormulaC5H6O3S
Molecular Weight146.17 g/mol
Exact Mass146.00
IUPAC NameO-[(3S)-2-oxooxolan-3-yl] methanethioate
SMILESO=C1OCC[C@@H]1OC=S
InChIInChI=1S/C5H6O3S/c6-5-4(8-3-9)1-2-7-5/h3-4H,1-2H2/t4-/m0/s1
InChIKeyBKOQWOCNVGNJKM-BYPYZUCNSA-N
XLogP0.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[(3S)-2-oxooxolan-3-yl] methanethioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-[(3S)-2-oxooxolan-3-yl] methanethioate?
The IUPAC name of O-[(3S)-2-oxooxolan-3-yl] methanethioate (CID 91592474) is O-[(3S)-2-oxooxolan-3-yl] methanethioate.
What is the SMILES notation for O-[(3S)-2-oxooxolan-3-yl] methanethioate?
The canonical SMILES for O-[(3S)-2-oxooxolan-3-yl] methanethioate is O=C1OCC[C@@H]1OC=S.
What is the InChIKey of O-[(3S)-2-oxooxolan-3-yl] methanethioate?
The InChIKey is BKOQWOCNVGNJKM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H6O3S/c6-5-4(8-3-9)1-2-7-5/h3-4H,1-2H2/t4-/m0/s1.
What are the key properties of O-[(3S)-2-oxooxolan-3-yl] methanethioate?
O-[(3S)-2-oxooxolan-3-yl] methanethioate has a molecular weight of 146.17 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3S)-2-oxooxolan-3-yl] methanethioate is sourced from PubChem (CID 91592474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).