| CAS Number | 1155097-10-1 |
| Catalog Number | AG01AF7E |
| Chemical Name | 2-{4-[1-(methylamino)ethyl]phenyl}-1lambda6,2-thiazolidine-1,1-dione |
| IUPAC Name | 1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine |
| InChI | InChI=1S/C12H18N2O2S/c1-10(13-2)11-4-6-12(7-5-11)14-8-3-9-17(14,15)16/h4-7,10,13H,3,8-9H2,1-2H3 |
| InChI Key | BZFLJRBUFXSNDN-UHFFFAOYSA-N |
| MDL Number | MFCD12107085 |
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.3485 |
| SMILES | CNC(C1=CC=C(N2S(=O)(=O)CCC2)C=C1)C |
| Synonyms | 1155097-10-1,
2-{4-[1-(methylamino)ethyl]phenyl}-1,2-thiazolidine-1,1-dione,
AKOS009846527,
NE45489,
2-{4-[1-(methylamino)ethyl]phenyl}-1??,2-thiazolidine-1,1-dione,
2-{4-[1-(methylamino)ethyl]phenyl}-1lambda,2-thiazolidine-1,1-dione,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.348g/mol |
| Monoisotopic Mass | 254.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number