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2-[4-(butane-1-sulfinyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(butane-1-sulfinyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Formula: C16H25BO3S

SMILES: CCCCS(=O)C1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-[4-(butane-1-sulfinyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1/C16H25BO3S/c1-6-7-12-21(18)14-10-8-13(9-11-14)17-19-15(2,3)16(4,5)20-17/h8-11H,6-7,12H2,1-5H3

Composition: C (62.35%), H (8.18%), B (3.51%), O (15.57%), S (10.40%)

Molar Mass: 308.24

Atom Count: 46

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 308.161746
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VNCVNWHAAJANSN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.92
Topological Polar Surface Area 35.53
Polarizability 34.96
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C16H25BO3S Quote Only