| CAS Number | 478792-13-1 |
| Catalog Number | AG019HT0 |
| Chemical Name | (5E)-3-(2-aminoethyl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C12H11ClN2O2S.ClH/c13-9-3-1-8(2-4-9)7-10-11(16)15(6-5-14)12(17)18-10;/h1-4,7H,5-6,14H2;1H |
| InChI Key | YJACJIYMTDWTFN-UHFFFAOYSA-N |
| MDL Number | MFCD08445259 |
| Molecular Formula | C12H12Cl2N2O2S |
| Molecular Weight | 319.2069 |
| SMILES | Cl.NCCN1C(=O)/C(=CC2=CC=C(Cl)C=C2)/SC1=O |
| Synonyms | (5E)-3-(2-aminoethyl)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride,
478792-13-1,
CTK7E8605,
(E)-3-(2-aminoethyl)-5-(4-chlorobenzylidene)thiazolidine-2,4-dione hydrochloride,
(5E)-3-(2-aminoethyl)-5-(4-chlorobenzylidene)-1,3-thiazolidine-2,4-dione hydrochloride,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.2g/mol |
| Monoisotopic Mass | 318g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number