2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one

C8H8N2OS2 — CID 2726633

IUPAC2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESO=C1CNC(=S)N1Cc1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7-4-9-8(12)10(7)5-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,12)
InChIKeyXXLLAPSGTSIOGY-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.96
Rot. Bonds2

About 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one

2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one (PubChem CID 2726633) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one
PubChem CID2726633
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one
SMILESO=C1CNC(=S)N1Cc1cccs1
InChIInChI=1S/C8H8N2OS2/c11-7-4-9-8(12)10(7)5-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,12)
InChIKeyXXLLAPSGTSIOGY-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one 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-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one (CID 2726633) is 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one is O=C1CNC(=S)N1Cc1cccs1.
What is the InChIKey of 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one?
The InChIKey is XXLLAPSGTSIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-7-4-9-8(12)10(7)5-6-2-1-3-13-6/h1-3H,4-5H2,(H,9,12).
What are the key properties of 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one?
2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one has a molecular weight of 212.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 2726633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).