13781-53-8 | 2-(Thiophen-3-yl)acetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$17.00	$12.00
5g	95%	in stock	$29.00	$20.00
25g	98%	in stock	$92.00	$65.00
100g	98%	in stock	$363.00	$255.00

Description

• Catalog Number: AA51483
• Chemical Name: 2-(Thiophen-3-yl)acetonitrile
• CAS Number: 13781-53-8
• Molecular Formula: C6H5NS
• Molecular Weight: 123.1756
• MDL Number: MFCD00005471
• SMILES: N#CCc1cscc1

Computed Properties

• Complexity: 113
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.3

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601

• (Z)-3-(1H-Indol-3-yl)-2-(3-thienyl)acrylonitrile and (Z)-3-[1-(4-tert-butylbenzyl)-1H-indol-3-yl]-2-(3-thienyl)acrylonitrile.

  Acta crystallographica. Section C, Crystal structure communications 20050201

• (Z)-3-(1-Methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile.

  Acta crystallographica. Section C, Crystal structure communications 20040301