| CAS Number | 1012881-39-8 |
| Catalog Number | AG008S2J(AGN-PC-0WO970) |
| Chemical Name | 2-tert-Butyl-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-tert-butyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C8H11NO2S/c1-8(2,3)7-9-4-5(12-7)6(10)11/h4H,1-3H3,(H,10,11) |
| InChI Key | CPLKXVKTZZPNKP-UHFFFAOYSA-N |
| MDL Number | MFCD09258844 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CC(C)(C)c1ncc(s1)C(=O)O |
| Synonyms | 2-tert-butyl-1,3-thiazole-5-carboxylic acid,
1012881-39-8,
2-tert-butylthiazole-5-carboxylic acid,
SCHEMBL4282035,
CTK7J0507,
CPLKXVKTZZPNKP-UHFFFAOYSA-N,
ZINC36930123,
AKOS008124334,
NE29937,
2-tert-Butyl-thiazole-5-carboxylic acid,
BS-13669,
DA-25637,
SC-34491,
EN300-54936,
AB01003586-01,
Z839028584,
AC1Q1MCK,
2-tert-butyl-1,3-thiazole-4-carboxylic acid,
|
| Complexity | 188 |
| 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 | 2 |
| Topological Polar Surface Area | 78.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number