| CAS Number | 927995-91-3 |
| Catalog Number | AG01AKES(AGN-PC-0WO5S0) |
| Chemical Name | 2-(5-Amino-2-methylphenyl)-1lambda6,2-thiazolidine-1,1-dione |
| IUPAC Name | 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylaniline |
| InChI | InChI=1S/C10H14N2O2S/c1-8-3-4-9(11)7-10(8)12-5-2-6-15(12,13)14/h3-4,7H,2,5-6,11H2,1H3 |
| InChI Key | CTOAWOGRUCCIFA-UHFFFAOYSA-N |
| MDL Number | MFCD09261791 |
| Molecular Formula | C10H14N2O2S |
| Molecular Weight | 226.2954 |
| SMILES | CC1=C(N2S(=O)(=O)CCC2)C=C(N)C=C1 |
| Synonyms | 927995-91-3,
2-(5-amino-2-methylphenyl)-1lambda6,2-thiazolidine-1,1-dione,
2-(5-amino-2-methylphenyl)-1??,2-thiazolidine-1,1-dione,
2-(5-amino-2-methylphenyl)-1$l^{6},2-thiazolidine-1,1-dione,
ZINC11847686,
AKOS000164188,
MCULE-9627272129,
NE24812,
NS-02850,
EN300-83890,
Z1250132658,
2-(5-amino-2-methylphenyl)-1lambda,2-thiazolidine-1,1-dione,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.294g/mol |
| Monoisotopic Mass | 226.078g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number