2-methanesulfinylphenylboronic acid

2-methanesulfinylphenylboronic acid

CAS: 850567-97-4

Formula: C7H9BO3S

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

IUPAC: (2-methanesulfinylphenyl)boronic acid

InChI: InChI=1/C7H9BO3S/c1-12(11)7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3

Composition: C (45.69%), H (4.93%), B (5.87%), O (26.08%), S (17.42%)

Molar Mass: 184.02

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	184.036545
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PHORKVSBWZGTEX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.97
Topological Polar Surface Area	57.53
Polarizability	18.98
Ring Count	1
Rotatable Bond Count	2

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