B(C1=CC=CC=C1SC)(O)O
CAS: 168618-42-6
Name: (2-methylsulfanylphenyl)boronic acid
SMILES: B(C1=CC=CC=C1SC)(O)O

Molecular Processing

Molecular formula
C7H9BO2S
Molecular weight
168.03
Exact mass
168.0416
XLogP
0.09
TPSA
40.46
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
48.05

Supplementary Information

InChIKey: QXBWTYBCNFKURT-UHFFFAOYSA-N
Synonyme
2-(Methylthio)benzeneboronic Acid2-Methylsulfanylphenylboronic acidRefChem:461428605-521-22-(Methylthio)phenylboronic acid168618-42-62-Methylthiophenylboronic acid(2-(Methylthio)phenyl)boronic acid(2-methylsulfanylphenyl)boronic Acid[2-(methylsulfanyl)phenyl]boronic acidMFCD01318165Boronic acid, B-[2-(methylthio)phenyl]-C7H9BO2S[2-(methylthio)phenyl]boronic acid168818-42-62-THIOANISOLEBORONIC ACIDBORONIC ACID, [2-(METHYLTHIO)PHENYL]-2-BORONOTHIOANISOLE2-MethylthiophenylboronicacidSCHEMBL243892-methylthiophenyl boronic acidCHEMBL3528942-methylthiophenyldihydroxyboraneSCHEMBL29367623QXBWTYBCNFKURT-UHFFFAOYSA-2-methylthiophenyl-dihydroxyboraneDTXSID303785422-(methylthio)-phenylboronic acid2-(methylthio)phenyl-boronic acid2-(methylthio)benzene boronic acid
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