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Home > Boronic Acids > 864754-37-0
864754-37-0 | Thiomorpholine,4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl]-
CAS No: 864754-37-0 Catalog No: AG004MQ1 MDL No:MFCD08706095
Product Description
Catalog Number:
AG004MQ1
Chemical Name:
Thiomorpholine,4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl]-
CAS Number:
864754-37-0
Molecular Formula:
C16H24BNO4S2
Molecular Weight:
369.3071
MDL Number:
MFCD08706095
IUPAC Name:
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylthiomorpholine
InChI:
InChI=1S/C16H24BNO4S2/c1-15(2)16(3,4)22-17(21-15)13-6-5-7-14(12-13)24(19,20)18-8-10-23-11-9-18/h5-7,12H,8-11H2,1-4H3
InChI Key:
ZLQWSRKDPDXSKJ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)S(=O)(=O)N1CCSCC1
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.301g/mol
Monoisotopic Mass:
369.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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