| CAS Number | 1016529-85-3 |
| Catalog Number | AG01ABZI(AGN-PC-0WO3Z6) |
| Chemical Name | 2-[4-(Aminomethyl)phenyl]-1lambda(6),2-thiazolidine-1,1-dione |
| IUPAC Name | [4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanamine |
| InChI | InChI=1S/C10H14N2O2S/c11-8-9-2-4-10(5-3-9)12-6-1-7-15(12,13)14/h2-5H,1,6-8,11H2 |
| InChI Key | DEGLQAJTIAVTNY-UHFFFAOYSA-N |
| MDL Number | MFCD09805348 |
| Molecular Formula | C10H14N2O2S |
| Molecular Weight | 226.2954 |
| SMILES | NCC1=CC=C(N2S(=O)(=O)CCC2)C=C1 |
| Synonyms | 1016529-85-3,
2-[4-(aminomethyl)phenyl]-1,2-thiazolidine-1,1-dione,
ZINC19421146,
AKOS000169395,
NE23687,
2-[4-(aminomethyl)phenyl]-1??,2-thiazolidine-1,1-dione,
2-[4-(aminomethyl)phenyl]-1lambda,2-thiazolidine-1,1-dione,
|
| Complexity | 302 |
| 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 | 2 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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