| CAS Number | 1197954-30-5 |
| Catalog Number | AG019WUM |
| Chemical Name | 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde |
| IUPAC Name | 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C12H11NO2S/c1-9-2-4-11(5-3-9)15-7-12-13-10(6-14)8-16-12/h2-6,8H,7H2,1H3 |
| InChI Key | BLJUMITVSFOABQ-UHFFFAOYSA-N |
| MDL Number | MFCD12913220 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.2862 |
| SMILES | CC1=CC=C(OCC2SC=C(C=O)N=2)C=C1 |
| Synonyms | 2-(4-methylphenoxymethyl)-1,3-thiazole-4-carbaldehyde,
1197954-30-5,
AC1Q2MT2,
CTK7I0503,
ZINC38342149,
AKOS030663562,
MCULE-3276891907,
NE15662,
EN300-53199,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.285g/mol |
| Monoisotopic Mass | 233.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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