16794-67-5 | 4-Chlorobenzoyl isothiocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$117.00	$82.00
5g	95%	in stock	$454.00	$318.00

Description

• Catalog Number: AA90158
• Chemical Name: 4-Chlorobenzoyl isothiocyanate
• CAS Number: 16794-67-5
• Molecular Formula: C8H4ClNOS
• Molecular Weight: 197.6415
• MDL Number: MFCD00041104
• SMILES: S=C=NC(=O)c1ccc(cc1)Cl
• NSC Number: 29260

Computed Properties

• Complexity: 217
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 3.8

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• 1-(4-Chloro-benzo-yl)-3-(2,4,6-trichloro-phen-yl)thio-urea hemihydrate.

  Acta crystallographica. Section E, Structure reports online 20090101