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4-(thiomorpholin-4-ylmethyl)phenylboronic acid

4-(thiomorpholin-4-ylmethyl)phenylboronic acid

CAS: 1256358-60-7

Formula: C11H16BNO2S

SMILES: OB(O)C1=CC=C(CN2CCSCC2)C=C1

IUPAC: {4-[(thiomorpholin-4-yl)methyl]phenyl}boronic acid

InChI: InChI=1S/C11H16BNO2S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2

Composition: C (55.72%), H (6.80%), B (4.56%), N (5.91%), O (13.49%), S (13.52%)

Molar Mass: 237.12

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.09948
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VDMPAGMAGZPHSO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.51
Topological Polar Surface Area 43.7
Polarizability 26.6
Ring Count 2
Rotatable Bond Count 3

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