| CAS Number | 1820683-35-9 |
| Catalog Number | AG00I0ST(AGN-PC-0WR0RX) |
| Chemical Name | 2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid |
| InChI | InChI=1S/C13H18N2O4S/c1-13(2,3)19-12(18)15-11-14-8-5-4-7(10(16)17)6-9(8)20-11/h7H,4-6H2,1-3H3,(H,16,17)(H,14,15,18) |
| InChI Key | GVHQFEJYCMAKHM-UHFFFAOYSA-N |
| MDL Number | MFCD27918617 |
| Molecular Formula | C13H18N2O4S |
| Molecular Weight | 298.3580 |
| SMILES | CC(C)(OC(NC1=NC2=C(S1)CC(C(O)=O)CC2)=O)C |
| Synonyms | 2-tert-Butoxycarbonylamino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid,
1820683-35-9,
Z-9078,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.357g/mol |
| Monoisotopic Mass | 298.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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