3996-29-0 | 4-Methyl phenyl thioacetic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$19.00	$13.00
5g	98%	in stock	$38.00	$27.00
25g	95%	in stock	$145.00	$102.00
100g	95%	in stock	$540.00	$378.00

Description

• Catalog Number: AB68009
• Chemical Name: 4-Methyl phenyl thioacetic acid
• CAS Number: 3996-29-0
• Molecular Formula: C9H10O2S
• Molecular Weight: 182.2395
• MDL Number: MFCD00034675
• SMILES: OC(=O)CSc1ccc(cc1)C
• NSC Number: 75126

Computed Properties

• Complexity: 151
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.2

Literature

• catena-Poly[[diaqua-bis-[2-(4-tolyl-sulfanyl)acetato-κO]manganese(II)]-μ-4,4'-bipyridine-κN:N'].

  Acta crystallographica. Section E, Structure reports online 20110501

• catena-Poly[[diaqua-[(4-tolyl-sulfan-yl)acetato-κO]cadmium(II)]-μ-4,4'-bipyridine-κN:N'].

  Acta crystallographica. Section E, Structure reports online 20080901