| CAS Number | 66892-42-0 |
| Catalog Number | AG01E8RT(AGN-PC-00PQ24) |
| Chemical Name | 2,3-dihydrospiro[1-benzothiopyran-4,4'-imidazolidine]-2',5'-dione |
| IUPAC Name | spiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione |
| InChI | 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) |
| InChI Key | GPXJCNBTUQIPOM-UHFFFAOYSA-N |
| MDL Number | MFCD09737201 |
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.2743 |
| SMILES | O=C1NC2(C3=C(C=CC=C3)SCC2)C(=O)N1 |
| Synonyms | CHEMBL82300,
SCHEMBL9234921,
spiro(hydantoin-5,4'-thiochromane),
BDBM50022444,
AKOS000142345,
66892-42-0,
Z228583212,
2,3-dihydrospiro[1-benzothiopyran-4,4'-imidazolidine]-2',5'-dione,
2'',3''-dihydro-2H,5H-spiro[imidazolidine-4,4''-thiochromene]-2,5-dione,
spiro[imidazolidine-4,4'-thiochroman]-2,5-dione,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.273g/mol |
| Monoisotopic Mass | 234.046g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 83.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number