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Home > Boronic Acids > 587871-47-4
587871-47-4 | tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-thioxanthen-2-ylcarbamate
CAS No: 587871-47-4 Catalog No: AG00ELHB MDL No:MFCD30469041
Product Description
Catalog Number:
AG00ELHB
Chemical Name:
tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-thioxanthen-2-ylcarbamate
CAS Number:
587871-47-4
Molecular Formula:
C24H30BNO4S
Molecular Weight:
439.3753
MDL Number:
MFCD30469041
IUPAC Name:
tert-butyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-thioxanthen-2-yl]carbamate
InChI:
InChI=1S/C24H30BNO4S/c1-22(2,3)28-21(27)26-17-11-12-19-16(14-17)13-15-9-8-10-18(20(15)31-19)25-29-23(4,5)24(6,7)30-25/h8-12,14H,13H2,1-7H3,(H,26,27)
InChI Key:
JFTIJPRKUGEPTR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)Cc1c(S2)c(ccc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.199g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.377g/mol
Monoisotopic Mass:
439.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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