| CAS Number | 1000933-52-7 |
| Catalog Number | AG019LL5 |
| Chemical Name | 2-(2-CYCLOPROPYL-2-OXOETHYLIDENE)-1,3-THIAZOLIDIN-4-ONE |
| IUPAC Name | 2-(2-cyclopropyl-2-oxoethylidene)-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C8H9NO2S/c10-6(5-1-2-5)3-8-9-7(11)4-12-8/h3,5H,1-2,4H2,(H,9,11) |
| InChI Key | QRDJQNBEVWRBGC-UHFFFAOYSA-N |
| MDL Number | MFCD28155408 |
| Molecular Formula | C8H9NO2S |
| Molecular Weight | 183.2276 |
| SMILES | O=C(C1CC1)C=C1SCC(=O)N1 |
| Synonyms | 2-(2-cyclopropyl-2-oxoethylidene)-1,3-thiazolidin-4-one,
1000933-52-7,
CTK7F6147,
AKOS034200072,
MCULE-2881568830,
Z335452780,
(2E)-2-(2-cyclopropyl-2-oxoethylidene)-1,3-thiazolidin-4-one,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.225g/mol |
| Monoisotopic Mass | 183.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number