| CAS Number | 869467-25-4 |
| Catalog Number | AG01C1RZ |
| Chemical Name | 5-phenyl-1lambda6,2-thiazolidine-1,1,3-trione |
| IUPAC Name | 1,1-dioxo-5-phenyl-1,2-thiazolidin-3-one |
| InChI | InChI=1S/C9H9NO3S/c11-9-6-8(14(12,13)10-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11) |
| InChI Key | UYQRVATUDIMDJN-UHFFFAOYSA-N |
| MDL Number | MFCD08166480 |
| Molecular Formula | C9H9NO3S |
| Molecular Weight | 211.2377 |
| SMILES | O=C1NS(=O)(=O)C(C2=CC=CC=C2)C1 |
| Synonyms | 5-phenyl-1lambda6,2-thiazolidine-1,1,3-trione,
869467-25-4,
CTK7H2734,
3-Oxo-5-phenylisothiazolidine 1,1-dioxide,
5-phenyl-1lambda,2-thiazolidine-1,1,3-trione,
1,1-DIOXIDO-5-PHENYLISOTHIAZOLIDIN-3-ONE,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.235g/mol |
| Monoisotopic Mass | 211.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number