CAS: 98546-51-1
이름: (4-methylsulfanylphenyl)boronic acid
SMILES:
B(C1=CC=C(C=C1)SC)(O)OMolecular 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: IVUHTLFKBDDICS-UHFFFAOYSA-N
동의어
4-(Methylthio)phenylboronic acid98546-51-1[4-(methylsulfanyl)phenyl]boronic acidDTXSID00370058(4-(Methylsulfanyl)phenyl)boronic acidRefChem:516408DTXCID90321094619-361-6(4-methylsulfanylphenyl)boronic Acid4-(Methylthio)benzeneboronic acid4-methylthiophenylboronic acid4-(methylsulfanyl)phenylboronic acidMFCD00093410(4-(methylthio)phenyl)boronic acid[4-(methylthio)phenyl]boronic acid4-(Methylthio)phenylboronicacid(4-(methylthio)phenyl]boronic acidBoronic acid, [4-(methylthio)phenyl]-SCHEMBL1842124-methylthiophenyl boronic acid4-methylthiophenyl-boronic acidCHEMBL1623404- methylthiophenyl boronic acid4-methylthio phenyl boronic acid4-(methyl-thio)phenylboronic acid4-(methylthio)phenyl boronic acid4-(methylthio) benzeneboronic acid4-(methylthio)benzene boronic acid4-methylsulfanyl-phenylboronic acid4-methylsulfanylphenyl boronic acid
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