| CAS Number | 131052-68-1 |
| Catalog Number | AG01B95B(AGN-PC-0WNQNA) |
| Chemical Name | 5-{[(tert-butoxy)carbonyl](methyl)amino}thiophene-2-carboxylic acid |
| IUPAC Name | 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12(4)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14) |
| InChI Key | VJWRWJGBMRLBDV-UHFFFAOYSA-N |
| MDL Number | MFCD24466638 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | C(C)(C)(C)OC(=O)N(C1=CC=C(S1)C(=O)O)C |
| Synonyms | 5-{[(tert-butoxy)carbonyl](methyl)amino}thiophene-2-carboxylic acid,
131052-68-1,
SCHEMBL9255887,
ZINC34462849,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number