| CAS Number | 933685-28-0 |
| Catalog Number | AG01C1PZ |
| Chemical Name | 2-(2-phenylethyl)-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 2-(2-phenylethyl)-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C12H11NOS/c14-9-11-8-13-12(15-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2 |
| InChI Key | VBKZDVNAQVOHPQ-UHFFFAOYSA-N |
| MDL Number | MFCD14654408 |
| Molecular Formula | C12H11NOS |
| Molecular Weight | 217.2868 |
| SMILES | O=CC1SC(CCC2=CC=CC=C2)=NC=1 |
| Synonyms | 2-(2-phenylethyl)-1,3-thiazole-5-carbaldehyde,
933685-28-0,
ZINC42406946,
AKOS010644388,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.286g/mol |
| Monoisotopic Mass | 217.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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