3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one

C3H3NO2S2 — CID 87192391

IUPAC3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1O
InChIInChI=1S/C3H3NO2S2/c5-2-1-8-3(7)4(2)6/h6H,1H2
InChIKeyCUBAETIZUTUEKG-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.24
Rot. Bonds

About 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one

3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 87192391) has the molecular formula C3H3NO2S2 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID87192391
Molecular FormulaC3H3NO2S2
Molecular Weight149.20 g/mol
Exact Mass148.96
IUPAC Name3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1O
InChIInChI=1S/C3H3NO2S2/c5-2-1-8-3(7)4(2)6/h6H,1H2
InChIKeyCUBAETIZUTUEKG-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one (CID 87192391) is 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1O.
What is the InChIKey of 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CUBAETIZUTUEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO2S2/c5-2-1-8-3(7)4(2)6/h6H,1H2.
What are the key properties of 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 149.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 87192391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).