49543-63-7 | Benzenemethanethiol, 4-(1,1-dimethylethyl)-

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$18.00	$12.00
5g	95%	in stock	$45.00	$32.00
25g	95%	in stock	$109.00	$76.00

Description

• Catalog Number: AB42821
• Chemical Name: Benzenemethanethiol, 4-(1,1-dimethylethyl)-
• CAS Number: 49543-63-7
• Molecular Formula: C11H16S
• Molecular Weight: 180.3097
• MDL Number: MFCD00068220
• SMILES: SCc1ccc(cc1)C(C)(C)C

Computed Properties

• Complexity: 126
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.7

Literature

• Synthesis and biological evaluation of N-mercaptoacylproline and N-mercaptoacylthiazolidine-4-carboxylic acid derivatives as leukotriene A4 hydrolase inhibitors.

  Bioorganic & medicinal chemistry letters 20080815