2-Selenoxo-1,3-thiazolidin-4-one

C3H2NOSSe — CID 14008848

IUPAC—
SMILESO=C1CSC([Se])=N1
InChIInChI=1S/C3H2NOSSe/c5-2-1-6-3(7)4-2/h1H2
InChIKeyUELRCPVLFSPPBF-UHFFFAOYSA-N
MW179.08 g/mol
LogP-0.22
Rot. Bonds

About 2-Selenoxo-1,3-thiazolidin-4-one

2-Selenoxo-1,3-thiazolidin-4-one (PubChem CID 14008848) has the molecular formula C3H2NOSSe and a molecular weight of 179.08 g/mol.

Molecular Properties

Compound Name2-Selenoxo-1,3-thiazolidin-4-one
PubChem CID14008848
Molecular FormulaC3H2NOSSe
Molecular Weight179.08 g/mol
Exact Mass179.90
IUPAC Name—
SMILESO=C1CSC([Se])=N1
InChIInChI=1S/C3H2NOSSe/c5-2-1-6-3(7)4-2/h1H2
InChIKeyUELRCPVLFSPPBF-UHFFFAOYSA-N
XLogP-0.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.08
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-Selenoxo-1,3-thiazolidin-4-one?
The IUPAC name of 2-Selenoxo-1,3-thiazolidin-4-one (CID 14008848) is not available.
What is the SMILES notation for 2-Selenoxo-1,3-thiazolidin-4-one?
The canonical SMILES for 2-Selenoxo-1,3-thiazolidin-4-one is O=C1CSC([Se])=N1.
What is the InChIKey of 2-Selenoxo-1,3-thiazolidin-4-one?
The InChIKey is UELRCPVLFSPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2NOSSe/c5-2-1-6-3(7)4-2/h1H2.
What are the key properties of 2-Selenoxo-1,3-thiazolidin-4-one?
2-Selenoxo-1,3-thiazolidin-4-one has a molecular weight of 179.08 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Selenoxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 14008848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).