| CAS Number | 1211695-52-1 |
| Catalog Number | AG019XG0(AGN-PC-0WO2J8) |
| Chemical Name | 2-(tert-Butyl)thiazole-5-carbaldehyde |
| IUPAC Name | 2-tert-butyl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C8H11NOS/c1-8(2,3)7-9-4-6(5-10)11-7/h4-5H,1-3H3 |
| InChI Key | SDKHQAAEFSCGGB-UHFFFAOYSA-N |
| MDL Number | MFCD13196151 |
| Molecular Formula | C8H11NOS |
| Molecular Weight | 169.2440 |
| SMILES | CC(C1SC(C=O)=CN=1)(C)C |
| Synonyms | 2-(tert-Butyl)thiazole-5-carbaldehyde,
2-tert-butyl-1,3-thiazole-5-carbaldehyde,
1211695-52-1,
AC1Q1MCL,
SCHEMBL11900275,
CTK7I0431,
SDKHQAAEFSCGGB-UHFFFAOYSA-N,
ZINC38342396,
2-tert-Butyl-thiazole-5-carbaldehyde,
AKOS010535638,
NE17612,
2-tert-Butyl-1,3-thiazol-5-carbaldehyde,
EN300-54886,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number