| CAS Number | 1529418-76-5 |
| Catalog Number | AG019S88(AGN-PC-0WOVQW) |
| Chemical Name | 2-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H11NO2S/c1-5-8(9(11)12)13-7(10-5)4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12) |
| InChI Key | JPKJSCGSMQKCFW-UHFFFAOYSA-N |
| MDL Number | MFCD23726250 |
| Molecular Formula | C9H11NO2S |
| Molecular Weight | 197.2541 |
| SMILES | CC1=C(C(O)=O)SC(CC2CC2)=N1 |
| Synonyms | 2-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid,
1529418-76-5,
ZINC83342767,
AKOS017536917,
MCULE-7948846001,
NE30414,
Z1821397701,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.252g/mol |
| Monoisotopic Mass | 197.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number