54796-53-1 | 5-Bromo-4-methylthiophene-2-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$58.00	$41.00
5g	98%	in stock	$94.00	$66.00
100g	98%	in stock	$1,536.00	$1,075.00

Description

• Catalog Number: AB49677
• Chemical Name: 5-Bromo-4-methylthiophene-2-carboxylic acid
• CAS Number: 54796-53-1
• Molecular Formula: C6H5BrO2S
• Molecular Weight: 221.0717
• MDL Number: MFCD11110671
• SMILES: OC(=O)c1cc(c(s1)Br)C

Computed Properties

• Complexity: 151
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.9

Literature

• Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.

  PloS one 20090101