| CAS Number | 109401-52-7 |
| Catalog Number | AG019H2G(AGN-PC-0OZIKN) |
| Chemical Name | (5E)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride |
| IUPAC Name | (5E)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C13H14N2O3S.ClH/c1-18-10-4-2-9(3-5-10)8-11-12(16)15(7-6-14)13(17)19-11;/h2-5,8H,6-7,14H2,1H3;1H/b11-8+; |
| InChI Key | LEDGHOKSFJGTLU-YGCVIUNWSA-N |
| MDL Number | MFCD08445261 |
| Molecular Formula | C13H15ClN2O3S |
| Molecular Weight | 314.7878 |
| SMILES | Cl.COC1=CC=C(/C=C2C(=O)N(CCN)C(=O)S2)C=C1 |
| Synonyms | (5E)-3-(2-aminoethyl)-5-(4-methoxybenzylidene)-1,3-thiazolidine-2,4-dione hydrochloride,
EN300-02327,
100795-92-4,
(5E)-3-(2-aminoethyl)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride,
109401-52-7,
AC1Q3C2F,
MFCD08445261,
AKOS016877435,
NE57303,
RT-005589,
LEDGHOKSFJGTLU-YGCVIUNWSA-N,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 314.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.784g/mol |
| Monoisotopic Mass | 314.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number