| CAS Number | 386730-36-5 |
| Catalog Number | AG01A7PW(AGN-PC-045OF1) |
| Chemical Name | 2-(2-Methylpropyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H11NO2S/c1-5(2)3-7-9-6(4-12-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11) |
| InChI Key | GELCNJDITWBJJG-UHFFFAOYSA-N |
| MDL Number | MFCD11180924 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CC(CC1SC=C(C(O)=O)N=1)C |
| Synonyms | 2-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid,
386730-36-5,
4-Thiazolecarboxylicacid,2-(2-methylpropyl)-,
AC1Q1P97,
SCHEMBL1246613,
CTK6A7235,
GELCNJDITWBJJG-UHFFFAOYSA-N,
2-Isobutylthiazole-4-carboxylic acid,
STL451480,
ZINC36220728,
AKOS009309574,
MCULE-4861051749,
NE15057,
EN300-59472,
4-Thiazolecarboxylic acid, 2-(2-methylpropyl)-,
Z1171978854,
|
| Complexity | 172 |
| 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 | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number