| CAS Number | 1086380-23-5 |
| Catalog Number | AG0095FD(AGN-PC-0WCB17) |
| Chemical Name | 2-Amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)10-4(9)13-2/h(H2,9,10)(H,11,12) |
| InChI Key | WKLMMGOQPSMWRH-UHFFFAOYSA-N |
| MDL Number | MFCD09991770 |
| Molecular Formula | C5H3F3N2O2S |
| Molecular Weight | 212.1497 |
| SMILES | NC1SC(C(F)(F)F)=C(C(O)=O)N=1 |
| Synonyms | 1086380-23-5,
2-Amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid,
2-Amino-5-(trifluoromethyl)thiazole-4-carboxylic acid,
SCHEMBL20588456,
CTK7E0633,
KS-00003SJ4,
SBB053129,
ZINC20357793,
AKOS025148641,
TS-00431,
Z2510259485,
WKLMMGOQPSMWRH-UHFFFAOYSA-N,
2-Amino-5-(trifluoromethyl)-4-thiazolecarboxylic Acid,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.146g/mol |
| Monoisotopic Mass | 211.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number