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

C11H10N2O3S — CID 21162211

IUPAC1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCS(=O)c3ccccc32)N1
InChIInChI=1S/C11H10N2O3S/c14-9-11(13-10(15)12-9)5-6-17(16)8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14,15)
InChIKeyZFYFKJDUQAXECM-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.23
Rot. Bonds

About 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 21162211) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID21162211
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCS(=O)c3ccccc32)N1
InChIInChI=1S/C11H10N2O3S/c14-9-11(13-10(15)12-9)5-6-17(16)8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14,15)
InChIKeyZFYFKJDUQAXECM-UHFFFAOYSA-N
XLogP0.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.23
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 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 21162211) is 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCS(=O)c3ccccc32)N1.
What is the InChIKey of 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is ZFYFKJDUQAXECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-9-11(13-10(15)12-9)5-6-17(16)8-4-2-1-3-7(8)11/h1-4H,5-6H2,(H2,12,13,14,15).
What are the key properties of 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 250.28 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 21162211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).