3288-04-8 | 2-Methoxyphenyl isothiocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	96%	in stock	$17.00	$12.00
5g	96%	in stock	$55.00	$39.00
25g	96%	in stock	$173.00	$121.00

Description

• Catalog Number: AB62534
• Chemical Name: 2-Methoxyphenyl isothiocyanate
• CAS Number: 3288-04-8
• Molecular Formula: C8H7NOS
• Molecular Weight: 165.2123
• MDL Number: MFCD00011675
• SMILES: S=C=Nc1ccccc1OC

Computed Properties

• Complexity: 166
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 3.3

Literature

• 2-Methoxyphenyl isocyanate and 2-Methoxyphenyl isothiocyanate: conformers, vibration structure and multiplet Fermi resonance.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101