| CAS Number | 211942-98-2 |
| Catalog Number | AG01C53T(AGN-PC-0WCMM3) |
| Chemical Name | 4-Tert-butyl-1,3-thiazole-2-carbaldehyde |
| IUPAC Name | 4-tert-butyl-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C8H11NOS/c1-8(2,3)6-5-11-7(4-10)9-6/h4-5H,1-3H3 |
| InChI Key | ZSICFKHOZSNTLK-UHFFFAOYSA-N |
| MDL Number | MFCD07381826 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CC(C1N=C(C=O)SC=1)(C)C |
| Synonyms | 4-TERT-BUTYL-1,3-THIAZOLE-2-CARBALDEHYDE,
4-tert-Butyl-thiazole-2-carbaldehyde,
211942-98-2,
SCHEMBL5908581,
MFCD07381826,
ZINC20445156,
AKOS012227079,
AB41895,
AS-8968,
BB 0249333,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.242g/mol |
| Monoisotopic Mass | 169.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number