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Structure

3-Mercaptophenylboronic acid

CAS
352526-00-2
Catalog Number
ACM352526002
Category
Boronic Acids
Molecular Weight
153.99
Molecular Formula
C6H7BO2S

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Specification

Synonyms
3-THIOBENZENEBORONIC ACID;3-MERCAPTOPHENYLBORONIC ACID
IUPAC Name
(2-sulfanylphenyl)boronic acid
Canonical SMILES
B(C1=CC=CC=C1S)(O)O
InChI Key
RADLTTWFPYPHIV-UHFFFAOYSA-N
Boiling Point
345.3ºC at 760 mmHg
Melting Point
196-201ºC(lit.)
Flash Point
162.6ºC
Density
1.27 g/cm³
Appearance
off-white solid
Exact Mass
154.02600
H-Bond Acceptor
3
H-Bond Donor
3
What is the PubChem CID for 3-Mercaptophenylboronic acid?

The PubChem CID for 3-Mercaptophenylboronic acid is 2773922.

What is the molecular formula of 3-Mercaptophenylboronic acid?

The molecular formula of 3-Mercaptophenylboronic acid is C6H7BO2S.

What is the molecular weight of 3-Mercaptophenylboronic acid?

The molecular weight of 3-Mercaptophenylboronic acid is 154.00 g/mol.

What is the IUPAC Name of 3-Mercaptophenylboronic acid?

The IUPAC Name of 3-Mercaptophenylboronic acid is (3-sulfanylphenyl)boronic acid.

What is the InChI of 3-Mercaptophenylboronic acid?

The InChI of 3-Mercaptophenylboronic acid is InChI=1S/C6H7BO2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,8-10H.

What is the InChIKey of 3-Mercaptophenylboronic acid?

The InChIKey of 3-Mercaptophenylboronic acid is OBCKMTLUSKYKIW-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Mercaptophenylboronic acid?

The canonical SMILES of 3-Mercaptophenylboronic acid is B(C1=CC(=CC=C1)S)(O)O.

What is the CAS number of 3-Mercaptophenylboronic acid?

The CAS number of 3-Mercaptophenylboronic acid is 352526-01-3.

What is the EC number of 3-Mercaptophenylboronic acid?

The EC number of 3-Mercaptophenylboronic acid is 808-135-4.

Is 3-Mercaptophenylboronic acid considered as a canonicalized compound?

Yes, 3-Mercaptophenylboronic acid is considered as a canonicalized compound.

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