| CAS Number | 1093344-89-8 |
| Catalog Number | AG019HVJ |
| Chemical Name | 3-(2-aminoethyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride |
| IUPAC Name | (5Z)-3-(2-aminoethyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C13H14N2O2S.ClH/c1-9-2-4-10(5-3-9)8-11-12(16)15(7-6-14)13(17)18-11;/h2-5,8H,6-7,14H2,1H3;1H/b11-8-; |
| InChI Key | JOZIHGNWKMLFOI-MKFZHGHUSA-N |
| MDL Number | MFCD08445272 |
| Molecular Formula | C13H15ClN2O2S |
| Molecular Weight | 298.7884 |
| SMILES | Cl.CC1=CC=C(C=C2C(=O)N(CCN)C(=O)S2)C=C1 |
| Synonyms | (5Z)-3-(2-aminoethyl)-5-(4-methylbenzylidene)-1,3-thiazolidine-2,4-dione hydrochloride,
(5Z)-3-(2-aminoethyl)-5-[(4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride,
1093344-89-8,
EN300-04816,
AC1Q39FP,
NE13911,
(Z)-3-(2-aminoethyl)-5-(4-methylbenzylidene)thiazolidine-2,4-dione hydrochloride,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 298.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.785g/mol |
| Monoisotopic Mass | 298.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number