| CAS Number | 289469-54-1 |
| Catalog Number | AG00BJPD |
| Chemical Name | 2-Chloro-4-methylthiazole-5-carbaldehyde |
| IUPAC Name | 2-chloro-4-methyl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C5H4ClNOS/c1-3-4(2-8)9-5(6)7-3/h2H,1H3 |
| InChI Key | BQAYCEGMJWKEAK-UHFFFAOYSA-N |
| MDL Number | MFCD18453589 |
| Molecular Formula | C5H4ClNOS |
| Molecular Weight | 161.6094 |
| SMILES | ClC=1SC(=C(N1)C)C=O |
| Synonyms | 289469-54-1,
2-chloro-4-methylthiazole-5-carbaldehyde,
2-chloro-4-methyl-5-Thiazolecarboxaldehyde,
SCHEMBL2517642,
BQAYCEGMJWKEAK-UHFFFAOYSA-N,
2-chloro-5-formyl-4-methylthiazole,
ZINC45206731,
AKOS006373494,
2-Chloro-4-Methyl thiazole-5-carbaldehyde,
DB-068031,
FT-0752554,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.603g/mol |
| Monoisotopic Mass | 160.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number