| CAS Number | 885279-27-6 |
| Catalog Number | AG0089A6(AGN-PC-09OG84) |
| Chemical Name | 2-(4-Ethyl-phenyl)-thiazole-4-carbaldehyde |
| IUPAC Name | 2-(4-ethylphenyl)-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C12H11NOS/c1-2-9-3-5-10(6-4-9)12-13-11(7-14)8-15-12/h3-8H,2H2,1H3 |
| InChI Key | WNPXTBVDXBOLND-UHFFFAOYSA-N |
| MDL Number | MFCD06738371 |
| Molecular Formula | C12H11NOS |
| Molecular Weight | 217.2868 |
| SMILES | CCc1ccc(cc1)c1scc(n1)C=O |
| Synonyms | 885279-27-6,
2-(4-ethylphenyl)thiazole-4-carbaldehyde,
2-(4-ETHYL-PHENYL)-THIAZOLE-4-CARBALDEHYDE,
2-(4-ETHYLPHENYL)-1,3-THIAZOLE-4-CARBALDEHYDE,
CTK5G0644,
DTXSID80693095,
4819AH,
KM2651,
MFCD06738371,
ZINC37974044,
AKOS010225648,
AB27014,
AJ-94415,
DB-077801,
4-Thiazolecarboxaldehyde,2-(4-ethylphenyl)-,
FT-0753652,
C12H11NOS,
2- -THIAZOLE-4-CARBALDEHYDE,
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| Complexity | 214 |
| 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 | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number