| CAS Number | 81569-42-8 |
| Catalog Number | AG01B1LU(AGN-PC-0WD5GL) |
| Chemical Name | 4-Isopropylthiazole-5-carboxylic acid |
| IUPAC Name | 4-propan-2-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H9NO2S/c1-4(2)5-6(7(9)10)11-3-8-5/h3-4H,1-2H3,(H,9,10) |
| InChI Key | XRLZIUOLRAEAHR-UHFFFAOYSA-N |
| MDL Number | MFCD19282029 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | CC(C1=C(C(O)=O)SC=N1)C |
| Synonyms | 4-Isopropylthiazole-5-carboxylic acid,
81569-42-8,
4-(propan-2-yl)-1,3-thiazole-5-carboxylic acid,
SCHEMBL10441248,
ZINC39370251,
AKOS022188598,
AJ-100046,
Z2235810124,
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| Complexity | 161 |
| 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 | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number