5345-27-7 | 3-(Methylsulfonyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$10.00
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$22.00	$16.00
10g	95%	in stock	$42.00	$29.00
25g	95%	in stock	$99.00	$70.00

Description

• Catalog Number: AB63418
• Chemical Name: 3-(Methylsulfonyl)benzoic acid
• CAS Number: 5345-27-7
• Molecular Formula: C8H8O4S
• Molecular Weight: 200.21172000000004
• MDL Number: MFCD00216488
• SMILES: OC(=O)c1cccc(c1)S(=O)(=O)C
• NSC Number: 3019

Computed Properties

• Complexity: 288
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.6

Literature

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

  Bioorganic & medicinal chemistry letters 20101101