| CAS Number | 874301-68-5 |
| Catalog Number | AG01FNMO(AGN-PC-3H4BFM) |
| Chemical Name | N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)thiomorpholine-4-carboxamide |
| IUPAC Name | N-[3-(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)13-6-5-7-14(12-13)19-15(21)20-8-10-24-11-9-20/h5-7,12H,8-11H2,1-4H3,(H,19,21) |
| InChI Key | GLNHFUXZJKCZDM-UHFFFAOYSA-N |
| MDL Number | MFCD32206521 |
| Molecular Formula | C17H25BN2O3S |
| Molecular Weight | 348.2680 |
| SMILES | O=C(N1CCSCC1)NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2 |
| Synonyms | AS-74069,
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]thiomorpholine-4-carboxamide,
874301-68-5,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.167894g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.3g/mol |
| Monoisotopic Mass | 348.167894g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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