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

C12H12N2O3S — CID 15572733

IUPAC6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CCS2)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3S/c1-17-7-2-3-9-8(6-7)12(4-5-18-9)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKeyIQWSXVQEGJONIU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.23
Rot. Bonds1

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

6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 15572733) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID15572733
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)C1(CCS2)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3S/c1-17-7-2-3-9-8(6-7)12(4-5-18-9)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKeyIQWSXVQEGJONIU-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 15572733) is 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)C1(CCS2)NC(=O)NC1=O.
What is the InChIKey of 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is IQWSXVQEGJONIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-7-2-3-9-8(6-7)12(4-5-18-9)10(15)13-11(16)14-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 264.31 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).