(2,5-dioxopyrrolidin-3-yl) thiohypochlorite

C4H4ClNO2S — CID 22931477

IUPAC(2,5-dioxopyrrolidin-3-yl) thiohypochlorite
SMILESO=C1CC(SCl)C(=O)N1
InChIInChI=1S/C4H4ClNO2S/c5-9-2-1-3(7)6-4(2)8/h2H,1H2,(H,6,7,8)
InChIKeyYSMDZPAOMDZJNA-UHFFFAOYSA-N
MW165.60 g/mol
LogP0.29
Rot. Bonds1

About (2,5-dioxopyrrolidin-3-yl) thiohypochlorite

(2,5-dioxopyrrolidin-3-yl) thiohypochlorite (PubChem CID 22931477) has the molecular formula C4H4ClNO2S and a molecular weight of 165.60 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) thiohypochlorite.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) thiohypochlorite
PubChem CID22931477
Molecular FormulaC4H4ClNO2S
Molecular Weight165.60 g/mol
Exact Mass164.97
IUPAC Name(2,5-dioxopyrrolidin-3-yl) thiohypochlorite
SMILESO=C1CC(SCl)C(=O)N1
InChIInChI=1S/C4H4ClNO2S/c5-9-2-1-3(7)6-4(2)8/h2H,1H2,(H,6,7,8)
InChIKeyYSMDZPAOMDZJNA-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.60
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-3-yl) thiohypochlorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) thiohypochlorite?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) thiohypochlorite (CID 22931477) is (2,5-dioxopyrrolidin-3-yl) thiohypochlorite.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) thiohypochlorite?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) thiohypochlorite is O=C1CC(SCl)C(=O)N1.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) thiohypochlorite?
The InChIKey is YSMDZPAOMDZJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO2S/c5-9-2-1-3(7)6-4(2)8/h2H,1H2,(H,6,7,8).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) thiohypochlorite?
(2,5-dioxopyrrolidin-3-yl) thiohypochlorite has a molecular weight of 165.60 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) thiohypochlorite is sourced from PubChem (CID 22931477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).