| CAS Number | 1152605-07-6 |
| Catalog Number | AG019V9G(AGN-PC-0WO6TT) |
| Chemical Name | 2-(1-Methyl-1H-pyrazol-4-yl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2S/c1-11-3-5(2-9-11)7-10-6(4-14-7)8(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | WPRROOODTALIEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11179458 |
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.2251 |
| SMILES | CN1N=CC(C2SC=C(C(O)=O)N=2)=C1 |
| Synonyms | 2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxylic acid,
1152605-07-6,
2-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxylic acid,
AC1Q3YSO,
SCHEMBL1815261,
CTK6I3844,
4-Thiazolecarboxylicacid,2-(1-methyl-1H-pyrazol-4-yl)-,
WPRROOODTALIEZ-UHFFFAOYSA-N,
ZINC32912346,
AKOS009312063,
MCULE-1386708249,
NE46867,
EN300-44153,
AB00997144-01,
Z451350338,
4-Thiazolecarboxylic acid, 2-(1-methyl-1H-pyrazol-4-yl)-,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.223g/mol |
| Monoisotopic Mass | 209.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number