| CAS Number | 126889-07-4 |
| Catalog Number | AG000TFF(AGN-PC-0029T8) |
| Chemical Name | 5-Thiazolecarboxylic acid, 4-ethyl- |
| IUPAC Name | 4-ethyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C6H7NO2S/c1-2-4-5(6(8)9)10-3-7-4/h3H,2H2,1H3,(H,8,9) |
| InChI Key | JUJNNKYDFBHNOW-UHFFFAOYSA-N |
| MDL Number | MFCD14553998 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | O=C(C1=C(CC)N=CS1)O |
| Synonyms | 126889-07-4,
4-Ethylthiazole-5-carboxylic acid,
4-ethyl-1,3-thiazole-5-carboxylic acid,
5-Thiazolecarboxylicacid, 4-ethyl-,
5-Thiazolecarboxylic acid, 4-ethyl-,
ACMC-20ms89,
SCHEMBL9643724,
4-ethylthiazole-5carboxylic acid,
CTK0H0199,
DTXSID40562637,
JUJNNKYDFBHNOW-UHFFFAOYSA-N,
MFCD14553998,
ZINC34336860,
AKOS015948338,
MCULE-6772114465,
NE30490,
AS-42962,
CS-0061444,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number