| CAS Number | 17265-59-7 |
| Catalog Number | AG01DYUY |
| Chemical Name | 3-methyl-1,2-thiazole-4-carbaldehyde |
| IUPAC Name | 3-methyl-1,2-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C5H5NOS/c1-4-5(2-7)3-8-6-4/h2-3H,1H3 |
| InChI Key | ILOLGPQFVGOIHL-UHFFFAOYSA-N |
| MDL Number | MFCD10700209 |
| Molecular Formula | C5H5NOS |
| Molecular Weight | 127.1643 |
| SMILES | CC1C(C=O)=CSN=1 |
| Synonyms | 3-methyl-1,2-thiazole-4-carbaldehyde,
17265-59-7,
3-methyl-isothiazole-4-carbaldehyde,
ZINC20441798,
AKOS006305123,
|
| Complexity | 96.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.161g/mol |
| Monoisotopic Mass | 127.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number