| CAS Number | 1152614-38-4 |
| Catalog Number | AG01A7UU |
| Chemical Name | 2-(2-Methylpropyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H11NO2S/c1-5(2)3-7-9-4-6(12-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11) |
| InChI Key | XWZVASZLGOMVOE-UHFFFAOYSA-N |
| MDL Number | MFCD11104997 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CC(CC1SC(C(O)=O)=CN=1)C |
| Synonyms | 2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid,
1152614-38-4,
SCHEMBL10441535,
XWZVASZLGOMVOE-UHFFFAOYSA-N,
STL302029,
ZINC34975453,
2-Isobutyl-thiazole-5-carboxylic acid,
AKOS009332493,
MCULE-1116582932,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.05105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.25g/mol |
| Monoisotopic Mass | 185.05105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number