2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione

C6H8N2O4S2 — CID 158695187

IUPAC2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.O=C1CSS(=O)N1
InChIInChI=1S/C4H5NO2.C2H3NO2S2/c6-3-1-2-4(7)5-3;4-2-1-6-7(5)3-2/h1-2H2,(H,5,6,7);1H2,(H,3,4)
InChIKeyIGVRTNYXSZKERJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-1.15
Rot. Bonds

About 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione

2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione (PubChem CID 158695187) has the molecular formula C6H8N2O4S2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione
PubChem CID158695187
Molecular FormulaC6H8N2O4S2
Molecular Weight236.27 g/mol
Exact Mass235.99
IUPAC Name2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.O=C1CSS(=O)N1
InChIInChI=1S/C4H5NO2.C2H3NO2S2/c6-3-1-2-4(7)5-3;4-2-1-6-7(5)3-2/h1-2H2,(H,5,6,7);1H2,(H,3,4)
InChIKeyIGVRTNYXSZKERJ-UHFFFAOYSA-N
XLogP-1.15
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione?
The IUPAC name of 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione (CID 158695187) is 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione.
What is the SMILES notation for 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione?
The canonical SMILES for 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione is O=C1CCC(=O)N1.O=C1CSS(=O)N1.
What is the InChIKey of 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione?
The InChIKey is IGVRTNYXSZKERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H3NO2S2/c6-3-1-2-4(7)5-3;4-2-1-6-7(5)3-2/h1-2H2,(H,5,6,7);1H2,(H,3,4).
What are the key properties of 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione?
2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione has a molecular weight of 236.27 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxodithiazolidin-4-one;pyrrolidine-2,5-dione is sourced from PubChem (CID 158695187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).