138564-59-7 | 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$8.00	$5.00
5g	98%	in stock	$10.00	$7.00
10g	98%	in stock	$18.00	$12.00
25g	98%	in stock	$35.00	$24.00
100g	98%	in stock	$89.00	$62.00

Description

• Catalog Number: AB69392
• Chemical Name: 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
• CAS Number: 138564-59-7
• Molecular Formula: C12H9N3O2S
• Molecular Weight: 259.28376000000003
• MDL Number: MFCD06408054
• SMILES: N#Cc1cc(sc1Nc1ccccc1[N+](=O)[O-])C
• NSC Number: 700023

Computed Properties

• Complexity: 362
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 4

Literature

• Study of dynamics and crystallization kinetics of 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile at ambient and elevated pressure.

  The Journal of chemical physics 20120621

• Gel-induced selective crystallization of polymorphs.

  Journal of the American Chemical Society 20120111

• Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals.

  Accounts of chemical research 20100921

• 2-(2-Nitro-anilino)-5,6,7,8-tetra-hydro-4H-cyclo-hepta-[b]thio-phene-3-carbonitrile.

  Acta crystallographica. Section E, Structure reports online 20100601

• Diffusion-controlled and 'diffusionless' crystal growth near the glass transition temperature: relation between liquid dynamics and growth kinetics of seven ROY polymorphs.

  The Journal of chemical physics 20090821

• Crystallization force--a density functional theory concept for revealing intermolecular interactions and molecular packing in organic crystals.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20090101

• Analysis of conformational polymorphism in pharmaceutical solids using solid-state NMR and electronic structure calculations.

  The journal of physical chemistry. B 20060420

• Cross-nucleation between ROY polymorphs.

  Journal of the American Chemical Society 20051214

• New polymorphs of ROY and new record for coexisting polymorphs of solved structures.

  Journal of the American Chemical Society 20050713

• Crystalline polymorph selection and discovery with polymer heteronuclei.

  Journal of the American Chemical Society 20050420

• Selective nucleation and discovery of organic polymorphs through epitaxy with single crystal substrates.

  Journal of the American Chemical Society 20011107