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

C11H9ClN2O2S — CID 15572734

IUPAC6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCSc3ccc(Cl)cc32)N1
InChIInChI=1S/C11H9ClN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyGZWXPPVSYXZBMY-UHFFFAOYSA-N
MW268.72 g/mol
LogP1.87
Rot. Bonds

About 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 15572734) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.72 g/mol. Its IUPAC name is 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID15572734
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.72 g/mol
Exact Mass268.01
IUPAC Name6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCSc3ccc(Cl)cc32)N1
InChIInChI=1S/C11H9ClN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyGZWXPPVSYXZBMY-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 51.87
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 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 15572734) is 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCSc3ccc(Cl)cc32)N1.
What is the InChIKey of 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is GZWXPPVSYXZBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 268.72 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).