4-sulfanylidene-1,3-oxazolidin-2-one

C3H3NO2S — CID 15292581

IUPAC4-sulfanylidene-1,3-oxazolidin-2-one
SMILESO=C1NC(=S)CO1
InChIInChI=1S/C3H3NO2S/c5-3-4-2(7)1-6-3/h1H2,(H,4,5,7)
InChIKeyIFXJQJKDPAJVMO-UHFFFAOYSA-N
MW117.13 g/mol
LogP0.05
Rot. Bonds

About 4-sulfanylidene-1,3-oxazolidin-2-one

4-sulfanylidene-1,3-oxazolidin-2-one (PubChem CID 15292581) has the molecular formula C3H3NO2S and a molecular weight of 117.13 g/mol. Its IUPAC name is 4-sulfanylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-sulfanylidene-1,3-oxazolidin-2-one
PubChem CID15292581
Molecular FormulaC3H3NO2S
Molecular Weight117.13 g/mol
Exact Mass116.99
IUPAC Name4-sulfanylidene-1,3-oxazolidin-2-one
SMILESO=C1NC(=S)CO1
InChIInChI=1S/C3H3NO2S/c5-3-4-2(7)1-6-3/h1H2,(H,4,5,7)
InChIKeyIFXJQJKDPAJVMO-UHFFFAOYSA-N
XLogP0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.13
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-sulfanylidene-1,3-oxazolidin-2-one (CID 15292581) is 4-sulfanylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-sulfanylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-sulfanylidene-1,3-oxazolidin-2-one is O=C1NC(=S)CO1.
What is the InChIKey of 4-sulfanylidene-1,3-oxazolidin-2-one?
The InChIKey is IFXJQJKDPAJVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO2S/c5-3-4-2(7)1-6-3/h1H2,(H,4,5,7).
What are the key properties of 4-sulfanylidene-1,3-oxazolidin-2-one?
4-sulfanylidene-1,3-oxazolidin-2-one has a molecular weight of 117.13 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 15292581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).