| CAS Number | 84636-43-1 |
| Catalog Number | AG01ADTI(AGN-PC-0WCMCE) |
| Chemical Name | 5-(Phenylamino)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 5-anilino-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H8N2O2S/c13-10(14)8-9(15-6-11-8)12-7-4-2-1-3-5-7/h1-6,12H,(H,13,14) |
| InChI Key | LHSFOSULVDZRBV-UHFFFAOYSA-N |
| MDL Number | MFCD20376240 |
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.2477 |
| SMILES | OC(C1=C(NC2=CC=CC=C2)SC=N1)=O |
| Synonyms | 84636-43-1,
5-anilino-1,3-thiazole-4-carboxylic acid,
5-(phenylamino)-1,3-thiazole-4-carboxylic acid,
5-(Phenylamino)thiazole-4-carboxylic acid,
SCHEMBL2826686,
ZINC81897035,
AKOS013957212,
Z2182115486,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.246g/mol |
| Monoisotopic Mass | 220.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number