| CAS Number | 874298-05-2 |
| Catalog Number | AG01DTQL |
| Chemical Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiomorpholine-4-carboxamide |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiomorpholine-4-carboxamide |
| InChI | InChI=1S/C17H25BN2O3S/c1-16(2)17(3,4)23-18(22-16)13-5-7-14(8-6-13)19-15(21)20-9-11-24-12-10-20/h5-8H,9-12H2,1-4H3,(H,19,21) |
| InChI Key | KZZKYDSDBGUMHC-UHFFFAOYSA-N |
| MDL Number | MFCD31716301 |
| Molecular Formula | C17H25BN2O3S |
| Molecular Weight | 348.2680 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)NC(=O)N1CCSCC1)C |
| Synonyms | 874298-05-2,
N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiomorpholine-4-carboxamide,
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiomorpholine-4-carboxamide,
AS-55422,
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| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.268g/mol |
| Monoisotopic Mass | 348.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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