| CAS Number | 1444694-56-7 |
| Catalog Number | AG01C1RJ |
| Chemical Name | 2-[(Dimethyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]isoindole-1,3-dione |
| InChI | InChI=1S/C14H12N2O2S/c1-8-9(2)19-12(15-8)7-16-13(17)10-5-3-4-6-11(10)14(16)18/h3-6H,7H2,1-2H3 |
| InChI Key | ZGLBUAOGKASUSF-UHFFFAOYSA-N |
| MDL Number | MFCD29762672 |
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.3223 |
| SMILES | CC1=C(C)SC(CN2C(=O)C3=C(C=CC=C3)C2=O)=N1 |
| Synonyms | 2-[(Dimethyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione,
1444694-56-7,
ZINC95426574,
AKOS033354665,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.322g/mol |
| Monoisotopic Mass | 272.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number