| CAS Number | 1178472-07-5 |
| Catalog Number | AG01BVR0 |
| Chemical Name | 2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carbaldehyde |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C8H7N3OS/c1-11-3-6(2-9-11)8-10-7(4-12)5-13-8/h2-5H,1H3 |
| InChI Key | RGMNYEDYHCOJAX-UHFFFAOYSA-N |
| MDL Number | MFCD12818492 |
| Molecular Formula | C8H7N3OS |
| Molecular Weight | 193.2257 |
| SMILES | O=CC1=CSC(C2=CN(C)N=C2)=N1 |
| Synonyms | 1178472-07-5,
2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carbaldehyde,
ZINC37974059,
AKOS010225657,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.224g/mol |
| Monoisotopic Mass | 193.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number