NAVIGATION


4-(Methylthio)phenylboronic acid

Catalog NumberACM98546511

CAS Number98546-51-1

CategorySalt

Synonyms
4-THIOMETHYLPHENYLBORONIC ACID;4-THIOANISOLEBORONIC ACID;4-(METHYLSULFANYL)PHENYLBORONIC ACID;4-METHYLSULFANYL-BENZENEBORONIC ACID;4-(METHYLTHIO)BENZENEBORONIC ACID;4-(METHYLTHIO)PHENYLBORONIC ACID;4-(METHYLMERCAPTO)BENZENEBORONIC ACID;4-BORONOTHIOANISOLE
IUPAC Name
(4-methylsulfanylphenyl)boronic acid
Molecular Weight
168.03g/mol
Molecular Formula
C7H9BO2S
Canonical SMILES
B(C1=CC=C(C=C1)SC)(O)O
InChI
InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChI Key
IVUHTLFKBDDICS-UHFFFAOYSA-N
Complexity
113
Covalently-Bonded Unit Count
1
Exact Mass
168.041631g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
168.041631g/mol
Rotatable Bond Count
2
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