| CAS Number | 923605-08-7 |
| Catalog Number | AG00LXYX(AGN-PC-0WBKE7) |
| Chemical Name | 2-cyclohexyl-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-cyclohexyl-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H13NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13) |
| InChI Key | SPAVOOMEYUWSIW-UHFFFAOYSA-N |
| MDL Number | MFCD10007064 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | O=C(O)C1N=C(C2CCCCC2)SC=1 |
| Synonyms | 2-cyclohexylthiazole-4-carboxylic acid,
923605-08-7,
2-cyclohexyl-1,3-thiazole-4-carboxylic acid,
SCHEMBL996815,
SPAVOOMEYUWSIW-UHFFFAOYSA-N,
ZINC11760900,
AKOS009309735,
MCULE-7285952179,
NS-02377,
4-THIAZOLECARBOXYLIC ACID, 2-CYCLOHEXYL-,
Z381402836,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.279g/mol |
| Monoisotopic Mass | 211.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number