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4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-1??-thiopyran-1,1-dione

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-1??-thiopyran-1,1-dione

CAS: 1370535-33-3

Formula: C11H19BO4S

SMILES: CC1(C)OB(OC1(C)C)C1=CCS(=O)(=O)CC1

IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-1??-thiopyran-1,1-dione

InChI: InChI=1S/C11H19BO4S/c1-10(2)11(3,4)16-12(15-10)9-5-7-17(13,14)8-6-9/h5H,6-8H2,1-4H3

Composition: C (51.18%), H (7.42%), B (4.19%), O (24.79%), S (12.42%)

Molar Mass: 258.14

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 258.10971
Formal Charge 0
FSP3 0.82
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey ALXDCUFWZWEIFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.04
Topological Polar Surface Area 52.6
Polarizability 26.86
Ring Count 2
Rotatable Bond Count 1

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