| CAS Number | 1339381-50-8 |
| Catalog Number | AG01B1PS(AGN-PC-0WOVMF) |
| Chemical Name | 4-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde |
| IUPAC Name | 4-(1-methylpyrazol-4-yl)-1,3-thiazole-2-carbaldehyde |
| InChI | InChI=1S/C8H7N3OS/c1-11-3-6(2-9-11)7-5-13-8(4-12)10-7/h2-5H,1H3 |
| InChI Key | GMBWOFNGNJUYTO-UHFFFAOYSA-N |
| MDL Number | MFCD17251124 |
| Molecular Formula | C8H7N3OS |
| Molecular Weight | 193.2257 |
| SMILES | O=CC1=NC(C2=CN(C)N=C2)=CS1 |
| Synonyms | 4-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-2-carbaldehyde,
1339381-50-8,
ZINC61798674,
AKOS012225289,
NE42206,
|
| 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 |
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