| CAS Number | 847744-15-4 |
| Catalog Number | AG00IDFF |
| Chemical Name | 2-(4-Ethylphenyl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-7H,2H2,1H3,(H,14,15) |
| InChI Key | OKIXVEUDAQRHLQ-UHFFFAOYSA-N |
| MDL Number | MFCD07324809 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.2862 |
| SMILES | CCC1=CC=C(C2SC=C(C(O)=O)N=2)C=C1 |
| Synonyms | 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic Acid,
847744-15-4,
2-(4-ETHYLPHENYL)THIAZOLE-4-CARBOXYLIC ACID,
MFCD07324809,
AC1NLQVL,
AC1Q2TG2,
SCHEMBL14301138,
CTK6D1486,
ZINC4206926,
AKOS009016336,
AB30602,
MCULE-9053940020,
EN300-13725,
Z94601310,
CID4962607,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.285g/mol |
| Monoisotopic Mass | 233.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number