| CAS Number | 1094373-88-2 |
| Catalog Number | AG01A90E(AGN-PC-0WO88O) |
| Chemical Name | 2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C6H4N4O2S/c11-6(12)3-1-13-5(9-3)4-7-2-8-10-4/h1-2H,(H,11,12)(H,7,8,10) |
| InChI Key | RFGCNIVMVSWMJG-UHFFFAOYSA-N |
| MDL Number | MFCD11180930 |
| Molecular Formula | C6H4N4O2S |
| Molecular Weight | 196.1866 |
| SMILES | OC(C1N=C(C2NC=NN=2)SC=1)=O |
| Synonyms | 2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxylic acid,
1094373-88-2,
AC1Q742S,
ZINC36895564,
AKOS008122092,
MCULE-4511733512,
NE48388,
EN300-63888,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.184g/mol |
| Monoisotopic Mass | 196.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number