| CAS Number | 185804-36-8 |
| Catalog Number | AG00ASCQ(AGN-PC-0QEQHI) |
| Chemical Name | 2-(((tert-Butoxycarbonyl)amino)methyl)thiazole-5-carboxylic acid |
| IUPAC Name | 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12-5-7-11-4-6(17-7)8(13)14/h4H,5H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | AETOCWDHZXGJII-UHFFFAOYSA-N |
| MDL Number | MFCD21648544 |
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.2942 |
| SMILES | CC(OC(NCC1SC(C(O)=O)=CN=1)=O)(C)C |
| Synonyms | 185804-36-8,
2-((TERT-BUTOXYCARBONYLAMINO)METHYL)THIAZOLE-5-CARBOXYLIC ACID,
A1-01810,
2-(((tert-Butoxycarbonyl)amino)methyl)thiazole-5-carboxylic acid,
SCHEMBL19990403,
FD7292,
AKOS027252494,
FCH1631422,
2-(tert-Butoxycarbonylamino-methyl)-thiazole-5-carboxylic acid,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.292g/mol |
| Monoisotopic Mass | 258.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number