| CAS Number | 160938-97-6 |
| Catalog Number | AG01DT1M(AGN-PC-0Q7ZGJ) |
| Chemical Name | 5-(((tert-Butoxycarbonyl)amino)methyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | UMCZWRPDQUJJRY-UHFFFAOYSA-N |
| MDL Number | MFCD06657488 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | C(C)(C)(C)OC(=O)NCC1=CC=C(S1)C(=O)O |
| Synonyms | 160938-97-6,
5-(((tert-Butoxycarbonyl)amino)methyl)thiophene-2-carboxylic acid,
SCHEMBL3672962,
AKOS016340752,
BB 0216406,
5-({[(tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid,
5-(tert-Butoxycarbonylamino-methyl)-thiophe ne-2-carboxylic acid,
|
| Complexity | 300 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number