2-(methylsulfanyl)phenylboronic acid

2-(methylsulfanyl)phenylboronic acid

CAS: 168618-42-6

Formula: C7H9BO2S

SMILES: CSC1=CC=CC=C1B(O)O

IUPAC: [2-(methylsulfanyl)phenyl]boronic acid

InChI: InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3

Composition: C (50.04%), H (5.40%), B (6.43%), O (19.04%), S (19.08%)

Molar Mass: 168.02

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.041631
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QXBWTYBCNFKURT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.36
Topological Polar Surface Area	40.46
Polarizability	18.42
Ring Count	1
Rotatable Bond Count	2

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