| CAS Number | 2096330-90-2 |
| Catalog Number | AG01FOR3(AGN-PC-3H5O71) |
| Chemical Name | 4-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}thiomorpholine |
| IUPAC Name | 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]thiomorpholine |
| InChI | InChI=1S/C17H26BNO2S/c1-16(2)17(3,4)21-18(20-16)15-7-5-14(6-8-15)13-19-9-11-22-12-10-19/h5-8H,9-13H2,1-4H3 |
| InChI Key | AZSGZVFIGRBNQM-UHFFFAOYSA-N |
| MDL Number | MFCD18781113 |
| Molecular Formula | C17H26BNO2S |
| Molecular Weight | 319.2698 |
| SMILES | CC1(C)OB(OC1(C)C)c1ccc(cc1)CN1CCSCC1 |
| Synonyms | 4-{[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}thiomorpholine,
4-((Thiomorpholino)methyl)phenylboronic acid pinacol ester,
2096330-90-2,
4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}thiomorpholine,
AMTB528,
C17H26BNO2S,
SCHEMBL3264618,
MFCD18781113,
AKOS016339698,
ZINC169975174,
AS-2562,
KS-000022E0,
M-3781,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.27g/mol |
| Monoisotopic Mass | 319.178g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number