2-(4-Fluorobenzylthio)ethylamine

• Catalog Number: ACMA00001683
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 185.26
• Molecular Formula: C₉H₁₂FN
• Hazard Statements: H302-H319
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2-(4-Fluorobenzylthio)ethylamine?

The molecular formula is C9H12FNS.

What is the molecular weight of 2-(4-Fluorobenzylthio)ethylamine?

The molecular weight is 185.26 g/mol.

What is the IUPAC name of 2-(4-Fluorobenzylthio)ethylamine?

The IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]ethanamine.

What is the InChI for 2-(4-Fluorobenzylthio)ethylamine?

The InChI is InChI=1S/C9H12FNS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4H,5-7,11H2.

What is the InChIKey for 2-(4-Fluorobenzylthio)ethylamine?

The InChIKey is ZZZHOBZYZWMETL-UHFFFAOYSA-N.

What is the Canonical SMILES for 2-(4-Fluorobenzylthio)ethylamine?

The Canonical SMILES is C1=CC(=CC=C1CSCCN)F.

What is the CAS number for 2-(4-Fluorobenzylthio)ethylamine?

The CAS number is 143627-49-0.

How many hydrogen bond donor counts are there in 2-(4-Fluorobenzylthio)ethylamine?

There is one hydrogen bond donor count.

What is the XLogP3-AA value for 2-(4-Fluorobenzylthio)ethylamine?

The XLogP3-AA value is 1.5.

Is the compound canonicalized?

Yes, the compound is canonicalized.