| CAS Number | 1019539-10-6 |
| Catalog Number | AG01A53E(AGN-PC-0WO74M) |
| Chemical Name | 2-(Tert-butylsulfanyl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-tert-butylsulfanylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H13NO2S/c1-10(2,3)14-8-6-7(9(12)13)4-5-11-8/h4-6H,1-3H3,(H,12,13) |
| InChI Key | ZFEKRVIJJMIJBO-UHFFFAOYSA-N |
| MDL Number | MFCD11136038 |
| Molecular Formula | C10H13NO2S |
| Molecular Weight | 211.2807 |
| SMILES | CC(SC1=NC=CC(C(O)=O)=C1)(C)C |
| Synonyms | 2-(tert-butylsulfanyl)pyridine-4-carboxylic acid,
1019539-10-6,
SCHEMBL14806543,
ZINC19869581,
AKOS000220840,
MCULE-8451717161,
NE24352,
Z285819758,
|
| Complexity | 213 |
| 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 | 3 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number