4-(Isopropylthio)phenylboronic acid

• CAS: 380427-38-3
• Catalog Number: ACM380427383
• Category: Boronic Acids
• Molecular Weight: 196.07
• Molecular Formula: C9H13O2BS

Custom Q&A

What is the molecular formula of 4-(Isopropylthio)phenylboronic acid?

The molecular formula of 4-(Isopropylthio)phenylboronic acid is C9H13BO2S.

What is the molecular weight of 4-(Isopropylthio)phenylboronic acid?

The molecular weight of 4-(Isopropylthio)phenylboronic acid is 196.08 g/mol.

What is the IUPAC name of 4-(Isopropylthio)phenylboronic acid?

The IUPAC name of 4-(Isopropylthio)phenylboronic acid is (4-propan-2-ylsulfanylphenyl)boronic acid.

What is the InChI of 4-(Isopropylthio)phenylboronic acid?

The InChI of 4-(Isopropylthio)phenylboronic acid is InChI=1S/C9H13BO2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3.

What is the InChIKey of 4-(Isopropylthio)phenylboronic acid?

The InChIKey of 4-(Isopropylthio)phenylboronic acid is FYJDSWBEPMIWEC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Isopropylthio)phenylboronic acid?

The canonical SMILES of 4-(Isopropylthio)phenylboronic acid is B(C1=CC=C(C=C1)SC(C)C)(O)O.

What is the CAS number of 4-(Isopropylthio)phenylboronic acid?

The CAS number of 4-(Isopropylthio)phenylboronic acid is 380427-38-3.

What is the EC number of 4-(Isopropylthio)phenylboronic acid?

The EC number of 4-(Isopropylthio)phenylboronic acid is 690-434-2.

What is the hydrogen bond donor count of 4-(Isopropylthio)phenylboronic acid?

The hydrogen bond donor count of 4-(Isopropylthio)phenylboronic acid is 2.

Is 4-(Isopropylthio)phenylboronic acid considered as a canonical compound?

Yes, 4-(Isopropylthio)phenylboronic acid is considered as a canonical compound.

Synthetic Use

Upstream Synthesis Route 1

• 70398-89-9

• 380427-38-3

Reference: [1]Patent: WO2004/9086,2004,A1 .Location in patent: Page/Page column 42-43

Downstream Synthesis Route 1

• 648904-46-5
• 380427-38-3

• 648905-27-5

Reference: [1]Patent: WO2004/9086,2004,A1 .Location in patent: Page/Page column 43

* For details of the synthesis route, please refer to the original source to ensure accuracy.