| CAS Number | 1014630-94-4 |
| Catalog Number | AG01A9CT(AGN-PC-0WOBPD) |
| Chemical Name | 2-(Pyrazin-2-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H5N3O2S/c12-8(13)6-4-11-7(14-6)5-3-9-1-2-10-5/h1-4H,(H,12,13) |
| InChI Key | QAZOAINNLAABAH-UHFFFAOYSA-N |
| MDL Number | MFCD12066280 |
| Molecular Formula | C8H5N3O2S |
| Molecular Weight | 207.2092 |
| SMILES | OC(C1SC(C2=NC=CN=C2)=NC=1)=O |
| Synonyms | 2-(pyrazin-2-yl)-1,3-thiazole-5-carboxylic acid,
1014630-94-4,
AC1Q73ZB,
SCHEMBL12571417,
ZINC37370144,
AKOS009995261,
MCULE-1336939544,
NE52957,
EN300-64736,
Z1171978872,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.207g/mol |
| Monoisotopic Mass | 207.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number