| CAS Number | 854036-03-6 |
| Catalog Number | AG019K13 |
| Chemical Name | 2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| IUPAC Name | 2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H11NO3S/c1-16-10-5-3-2-4-8(10)9(14)6-12-13-11(15)7-17-12/h2-6H,7H2,1H3,(H,13,15) |
| InChI Key | YVCJTVFFQYQYEA-UHFFFAOYSA-N |
| MDL Number | MFCD26143631 |
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.2856 |
| SMILES | COC1=C(C(C=C2SCC(=O)N2)=O)C=CC=C1 |
| Synonyms | 2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
854036-03-6,
AC1MOILR,
CTK7B0492,
MCULE-9883358365,
Z90665653,
ZINC04200480,
CID3344203,
(2E)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.284g/mol |
| Monoisotopic Mass | 249.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number