4411-26-1 | 1-Adamantyl isothiocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$50.00	$35.00
5g	95	in stock	$89.00	$63.00

Description

• Catalog Number: AB57807
• Chemical Name: 1-Adamantyl isothiocyanate
• CAS Number: 4411-26-1
• Molecular Formula: C11H15NS
• Molecular Weight: 193.3085
• MDL Number: MFCD00074736
• SMILES: S=C=NC12CC3CC(C2)CC(C1)C3
• NSC Number: 529585

Computed Properties

• Complexity: 237
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 4.2

Literature

• Cytotoxic properties of Adamantyl isothiocyanate and potential in vivo metabolite adamantyl-N-acetylcystein in gynecological cancer cells.

  Chemical biology & drug design 20120101

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

  Bioorganic & medicinal chemistry letters 20101101

• Synthesis, antimicrobial, and anti-inflammatory activities of novel 2-(1-adamantyl)-5-substituted-1,3,4-oxadiazoles and 2-(1-adamantylamino)-5-substituted-1,3,4-thiadiazoles.

  European journal of medicinal chemistry 20070201

• Carbonic anhydrase inhibitors: aromatic and heterocyclic sulfonamides incorporating adamantyl moieties with strong anticonvulsant activity.

  Bioorganic & medicinal chemistry 20040515