| CAS Number | 62657-88-9 |
| Catalog Number | AG01DWJT(AGN-PC-00093W) |
| Chemical Name | 2-BUTYL-1,3-THIAZOLE-4-CARBOXYLIC ACID |
| IUPAC Name | 2-butyl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H11NO2S/c1-2-3-4-7-9-6(5-12-7)8(10)11/h5H,2-4H2,1H3,(H,10,11) |
| InChI Key | HRCOEVSFYVJQMT-UHFFFAOYSA-N |
| MDL Number | MFCD14539674 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | O=C(C1=CSC(CCCC)=N1)O |
| Synonyms | 2-Butylthiazole-4-carboxylic acid,
62657-88-9,
SCHEMBL1246008,
HRCOEVSFYVJQMT-UHFFFAOYSA-N,
4-Thiazolecarboxylic acid, 2-butyl-,
AKOS017515056,
2-BUTYL-1,3-THIAZOLE-4-CARBOXYLIC ACID,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number