| CAS Number | 933732-31-1 |
| Catalog Number | AG00H2EJ(AGN-PC-0WO0WN) |
| Chemical Name | 2-(2-Ethyl-1,3-thiazol-4-yl)acetic acid |
| IUPAC Name | 2-(2-ethyl-1,3-thiazol-4-yl)acetic acid |
| InChI | InChI=1S/C7H9NO2S/c1-2-6-8-5(4-11-6)3-7(9)10/h4H,2-3H2,1H3,(H,9,10) |
| InChI Key | NZGFODMETHYSJI-UHFFFAOYSA-N |
| MDL Number | MFCD11044192 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | CCC1SC=C(CC(O)=O)N=1 |
| Synonyms | 2-(2-ethyl-1,3-thiazol-4-yl)acetic acid,
933732-31-1,
2-(2-ethylthiazol-4-yl)acetic acid,
AC1Q2U4P,
SCHEMBL4531055,
CTK6D2605,
ZINC36220928,
AKOS009310591,
MCULE-5825332037,
NE28401,
EN300-53796,
AB01000532-01,
Z401537598,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number