| CAS Number | 749920-39-6 |
| Catalog Number | AG019JMX |
| Chemical Name | 2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| IUPAC Name | 2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C12H11NO2S/c1-8-4-2-3-5-9(8)10(14)6-12-13-11(15)7-16-12/h2-6H,7H2,1H3,(H,13,15) |
| InChI Key | WIBUPYDOTYSKFW-UHFFFAOYSA-N |
| MDL Number | MFCD26143600 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.2862 |
| SMILES | CC1=C(C(C=C2SCC(=O)N2)=O)C=CC=C1 |
| Synonyms | 2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
749920-39-6,
AC1MHCC2,
CTK7H4524,
MCULE-6550974831,
Z56989600,
MLS000098923,
CID2999693,
(2E)-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.285g/mol |
| Monoisotopic Mass | 233.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number