| CAS Number | 1228558-14-2 |
| Catalog Number | AG01BXHC |
| Chemical Name | 2-(1H-pyrazol-4-yl)-1,3-thiazole |
| IUPAC Name | 2-(1H-pyrazol-4-yl)-1,3-thiazole |
| InChI | InChI=1S/C6H5N3S/c1-2-10-6(7-1)5-3-8-9-4-5/h1-4H,(H,8,9) |
| InChI Key | QYETZDWVJUWUTQ-UHFFFAOYSA-N |
| MDL Number | MFCD28668532 |
| Molecular Formula | C6H5N3S |
| Molecular Weight | 151.1890 |
| SMILES | C1N=C(C2=CNN=C2)SC=1 |
| Synonyms | 2-(1H-pyrazol-4-yl)-1,3-thiazole,
1228558-14-2,
4-thiazolylpyrazole,
Thiazole, 2-(1H-pyrazol-4-yl)-,
SCHEMBL370799,
2-(1H-pyrazol-4-yl)thiazole,
QYETZDWVJUWUTQ-UHFFFAOYSA-N,
racemic 2-(1H-pyrazol-4-yl)thiazole,
ZINC113680891,
A1-09518,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.187g/mol |
| Monoisotopic Mass | 151.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number