spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

C11H10N2O2S — CID 15572732

IUPACspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCSc3ccccc32)N1
InChIInChI=1S/C11H10N2O2S/c14-9-11(13-10(15)12-9)5-6-16-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14,15)
InChIKeyGPXJCNBTUQIPOM-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.22
Rot. Bonds

About spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 15572732) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Namespiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID15572732
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namespiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCSc3ccccc32)N1
InChIInChI=1S/C11H10N2O2S/c14-9-11(13-10(15)12-9)5-6-16-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14,15)
InChIKeyGPXJCNBTUQIPOM-UHFFFAOYSA-N
XLogP1.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 15572732) is spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCSc3ccccc32)N1.
What is the InChIKey of spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is GPXJCNBTUQIPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-9-11(13-10(15)12-9)5-6-16-8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14,15).
What are the key properties of spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 234.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).