2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one

C7H5NO2S2 — CID 21271225

IUPAC2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one
SMILESO=C1NC(=S)OC1c1cccs1
InChIInChI=1S/C7H5NO2S2/c9-6-5(10-7(11)8-6)4-2-1-3-12-4/h1-3,5H,(H,8,9,11)
InChIKeyHAHJMOGXTBMEEG-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.22
Rot. Bonds1

About 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one

2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one (PubChem CID 21271225) has the molecular formula C7H5NO2S2 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one
PubChem CID21271225
Molecular FormulaC7H5NO2S2
Molecular Weight199.26 g/mol
Exact Mass198.98
IUPAC Name2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one
SMILESO=C1NC(=S)OC1c1cccs1
InChIInChI=1S/C7H5NO2S2/c9-6-5(10-7(11)8-6)4-2-1-3-12-4/h1-3,5H,(H,8,9,11)
InChIKeyHAHJMOGXTBMEEG-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one?
The IUPAC name of 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one (CID 21271225) is 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one is O=C1NC(=S)OC1c1cccs1.
What is the InChIKey of 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one?
The InChIKey is HAHJMOGXTBMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S2/c9-6-5(10-7(11)8-6)4-2-1-3-12-4/h1-3,5H,(H,8,9,11).
What are the key properties of 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one?
2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one has a molecular weight of 199.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one is sourced from PubChem (CID 21271225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).