| CAS Number | 1219828-12-2 |
| Catalog Number | AG018MVM(AGN-PC-0WOTH5) |
| Chemical Name | 2-(Ethylamino)thiazole-4-carboxylic acid |
| IUPAC Name | 2-(ethylamino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C6H8N2O2S/c1-2-7-6-8-4(3-11-6)5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10) |
| InChI Key | WSXITIJJLMMEAP-UHFFFAOYSA-N |
| MDL Number | MFCD16653306 |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.2049 |
| SMILES | CCNC1SC=C(C(O)=O)N=1 |
| Synonyms | 2-(ethylamino)-1,3-thiazole-4-carboxylic acid,
1219828-12-2,
2-(Ethylamino)thiazole-4-carboxylic acid,
STL301977,
ZINC43830469,
AKOS006332722,
MCULE-7709638407,
NE22922,
EN300-94317,
F2158-1468,
Z1270210772,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.030649g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.21g/mol |
| Monoisotopic Mass | 172.030649g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number