| CAS Number | 62657-87-8 |
| Catalog Number | AG00IB28(AGN-PC-02K2LV) |
| Chemical Name | 5-Thiazolecarboxylic acid, 2-(1-methylethyl)- |
| IUPAC Name | 2-propan-2-yl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H9NO2S/c1-4(2)6-8-3-5(11-6)7(9)10/h3-4H,1-2H3,(H,9,10) |
| InChI Key | FVSORVIZXIZSNY-UHFFFAOYSA-N |
| MDL Number | MFCD11208431 |
| Molecular Formula | C7H9NO2S |
| Molecular Weight | 171.2169 |
| SMILES | O=C(C1=CN=C(C(C)C)S1)O |
| Synonyms | 62657-87-8,
2-isopropylthiazole-5-carboxylic acid,
2-(PROPAN-2-YL)-1,3-THIAZOLE-5-CARBOXYLIC ACID,
5-Thiazolecarboxylic acid, 2-(1-methylethyl)-,
SCHEMBL1421575,
FVSORVIZXIZSNY-UHFFFAOYSA-N,
MFCD11208431,
ZINC36930125,
AKOS009332323,
MCULE-3584871414,
NE22469,
AJ-93478,
AM101050,
AS-35322,
SC-34278,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.214g/mol |
| Monoisotopic Mass | 171.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number