| CAS Number | 320393-23-5 |
| Catalog Number | AG01BAWI(AGN-PC-00P67W) |
| Chemical Name | 4-Phenylisothiazolidine 1,1-dioxide |
| IUPAC Name | 4-phenyl-1,2-thiazolidine 1,1-dioxide |
| InChI | InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2 |
| InChI Key | CAGITIWEIXFGFH-UHFFFAOYSA-N |
| MDL Number | MFCD20483769 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | O=S1(NCC(C2=CC=CC=C2)C1)=O |
| Synonyms | 320393-23-5,
4-Phenylisothiazolidine 1,1-dioxide,
4-phenyl-1lambda6,2-thiazolidine-1,1-dione,
SCHEMBL2979492,
CAGITIWEIXFGFH-UHFFFAOYSA-N,
4-phenyl-isothiazolidine 1,1-dioxide,
AKOS027196482,
4-phenyl-1,2-thiazolidine-1,1-dione,
4-phenyl-1lambda,2-thiazolidine-1,1-dione,
Z2168499556,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number