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4-(tert-butylsulfanyl)phenylboronic acid

4-(tert-butylsulfanyl)phenylboronic acid

CAS: 820972-68-7

Formula: C10H15BO2S

SMILES: CC(C)(C)SC1=CC=C(C=C1)B(O)O

IUPAC: [4-(tert-butylsulfanyl)phenyl]boronic acid

InChI: InChI=1S/C10H15BO2S/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3

Composition: C (57.17%), H (7.20%), B (5.15%), O (15.23%), S (15.26%)

Molar Mass: 210.1

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.088581
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RLSGPRQEFFGNKS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.32
Topological Polar Surface Area 40.46
Polarizability 23.95
Ring Count 1
Rotatable Bond Count 3

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