5-Fluoro-2-mercaptobenzyl alcohol

• CAS: 870703-84-7
• Catalog Number: ACM870703847
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 158.19
• Molecular Formula: C₆H₄ClF₂N
• Synonyms: 639249_ALDRICH, 5-Fluoro-2-mercaptophenylmethanol, MolPort-003-938-068, 5-Fluoro-2-mercaptobenzyl alcohol, (5-fluoro-2-mercaptophenyl)methanol, EN001026, 870703-84-7
• IUPAC Name: (5-fluoro-2-sulfanylphenyl)methanol
• Canonical SMILES: C1=CC(=C(C=C1F)CO)S
• InChI Key: IGEXHILBHGLPBB-UHFFFAOYSA-N
• Hazard Statements: H301-H315-H319-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C7H7FOS.

What is the molecular weight of the compound?

The molecular weight of the compound is 158.20 g/mol.

What are some synonyms for the compound?

Some synonyms for the compound include (5-fluoro-2-mercaptophenyl)methanol and (5-Fluoro-2-sulfanylphenyl)methanol.

When was the compound created and last modified?

The compound was created on July 16, 2007, and last modified on December 23, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (5-fluoro-2-sulfanylphenyl)methanol.

What is the InChIKey of the compound?

The InChIKey of the compound is IGEXHILBHGLPBB-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is C1=CC(=C(C=C1F)CO)S.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 1.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.