| CAS Number | 864436-94-2 |
| Catalog Number | AG00H3K2(AGN-PC-0C9PMK) |
| Chemical Name | 5-(Boc-amino)-thiazole-4-carboxylic acid |
| IUPAC Name | 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-6-5(7(12)13)10-4-16-6/h4H,1-3H3,(H,11,14)(H,12,13) |
| InChI Key | SXJLZPMJYRHYDV-UHFFFAOYSA-N |
| MDL Number | MFCD21607196 |
| Molecular Formula | C9H12N2O4S |
| Molecular Weight | 244.2676 |
| SMILES | CC(OC(NC1=C(C(O)=O)N=CS1)=O)(C)C |
| Synonyms | 864436-94-2,
5-(BOC-AMINO)-THIAZOLE-4-CARBOXYLIC ACID,
5-((tert-Butoxycarbonyl)amino)thiazole-4-carboxylic acid,
SCHEMBL2520632,
SXJLZPMJYRHYDV-UHFFFAOYSA-N,
ZINC91690919,
FT-0723692,
5-(tert-butoxycarbonylamino)thiazole-4-carboxylic acid,
4-Thiazolecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-,
5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-Thiazolecarboxylic acid,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.265g/mol |
| Monoisotopic Mass | 244.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number