| CAS Number | 750607-42-2 |
| Catalog Number | AG019JL2 |
| Chemical Name | (2Z)-2-[2-(4-tert-Butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| IUPAC Name | 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C15H17NO2S/c1-15(2,3)11-6-4-10(5-7-11)12(17)8-14-16-13(18)9-19-14/h4-8H,9H2,1-3H3,(H,16,18) |
| InChI Key | UHLNJOPKVUCCER-UHFFFAOYSA-N |
| MDL Number | MFCD06655039 |
| Molecular Formula | C15H17NO2S |
| Molecular Weight | 275.366 |
| SMILES | CC(C1=CC=C(C(C=C2SCC(=O)N2)=O)C=C1)(C)C |
| Synonyms | 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
750607-42-2,
AC1MDYPR,
Maybridge3_003499,
Oprea1_733531,
CTK7F6952,
MCULE-3575745288,
Z56985767,
ZINC00165593,
CID2818906,
(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.366g/mol |
| Monoisotopic Mass | 275.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number