| CAS Number | 258856-20-1 |
| Catalog Number | AG01A89S(AGN-PC-0NHMYM) |
| Chemical Name | 3-[(4-Aminophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| IUPAC Name | 3-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione |
| InChI | InChI=1S/C10H10N2O2S/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6,11H2 |
| InChI Key | APBKQOXUQZQDBA-UHFFFAOYSA-N |
| MDL Number | MFCD09742330 |
| Molecular Formula | C10H10N2O2S |
| Molecular Weight | 222.2636 |
| SMILES | NC1=CC=C(CN2C(=O)SCC2=O)C=C1 |
| Synonyms | 3-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione,
258856-20-1,
AC1Q520M,
SCHEMBL5454963,
CTK7D7422,
APBKQOXUQZQDBA-UHFFFAOYSA-N,
ZINC19260478,
AKOS000149164,
MCULE-3128820128,
NE14388,
3-(4-Aminobenzyl)thiazolidine-2,4-dione,
ST50785213,
EN300-61117,
Z1262250832,
3-[(4-Aminophenyl)methyl]-1,3-thiazolidine-2,4-dione, AldrichCPR,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.262g/mol |
| Monoisotopic Mass | 222.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number