| CAS Number | 1167056-78-1 |
| Catalog Number | AG01B9UU |
| Chemical Name | 2-Cyanothiazole-5-carboxylic Acid |
| IUPAC Name | 2-cyano-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C5H2N2O2S/c6-1-4-7-2-3(10-4)5(8)9/h2H,(H,8,9) |
| InChI Key | HXESXQPYEOMMBC-UHFFFAOYSA-N |
| MDL Number | MFCD11845659 |
| Molecular Formula | C5H2N2O2S |
| Molecular Weight | 154.1466 |
| SMILES | C(#N)C=1SC(=CN1)C(=O)O |
| Synonyms | 2-cyano-1,3-thiazole-5-carboxylic acid,
1167056-78-1,
5-Thiazolecarboxylic acid, 2-cyano-,
SCHEMBL18114161,
2-Cyanothiazole-5-carboxylic acid,
2-Cyano-thiazole-5-carboxylic acid,
ZINC44185001,
AKOS033744985,
W-1787,
Z2033454278,
1211527-90-0,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.143g/mol |
| Monoisotopic Mass | 153.984g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number