| CAS Number | 1803609-50-8 |
| Catalog Number | AG01BFGW |
| Chemical Name | 2-{2-[1-(methylamino)ethyl]phenyl}-1lambda6,2-thiazolidine-1,1-dione hydrochloride |
| IUPAC Name | 1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine;hydrochloride |
| InChI | InChI=1S/C12H18N2O2S.ClH/c1-10(13-2)11-6-3-4-7-12(11)14-8-5-9-17(14,15)16;/h3-4,6-7,10,13H,5,8-9H2,1-2H3;1H |
| InChI Key | RDYYVLNIAKKCBO-UHFFFAOYSA-N |
| MDL Number | MFCD28118589 |
| Molecular Formula | C12H19ClN2O2S |
| Molecular Weight | 290.8095 |
| SMILES | Cl.CNC(C1=C(N2S(=O)(=O)CCC2)C=CC=C1)C |
| Synonyms | 1803609-50-8,
2-{2-[1-(methylamino)ethyl]phenyl}-1,2-thiazolidine-1,1-dione hydrochloride,
Z2696922033,
2-{2-[1-(methylamino)ethyl]phenyl}-1lambda,2-thiazolidine-1,1-dione hydrochloride,
2-{2-[1-(methylamino)ethyl]phenyl}-1lambda6,2-thiazolidine-1,1-dione hydrochloride,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.806g/mol |
| Monoisotopic Mass | 290.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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