| CAS Number | 792954-15-5 |
| Catalog Number | AG00G3VX |
| Chemical Name | 2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| IUPAC Name | 2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C11H8ClNO2S/c12-8-3-1-2-7(4-8)9(14)5-11-13-10(15)6-16-11/h1-5H,6H2,(H,13,15) |
| InChI Key | JRGMCBIWDZWFLJ-UHFFFAOYSA-N |
| MDL Number | MFCD06362472 |
| Molecular Formula | C11H8ClNO2S |
| Molecular Weight | 253.7047 |
| SMILES | O=C1NC(SC1)=CC(C2=CC=CC(Cl)=C2)=O |
| Synonyms | 792954-15-5,
AC1NJ8QS,
CTK7H4523,
MCULE-7855013156,
Z57040497,
ZINC04204501,
CID4868407,
2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
(2E)-2-[2-(3-chlorophenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.7g/mol |
| Monoisotopic Mass | 252.996g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number