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138564-59-7,MFCD06408054
Catalog No.:AA003MS4

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

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5g
97%
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$12.00   $8.00
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10g
97%
in stock  
$21.00   $15.00
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500g
98%(HPLC)
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$745.00   $522.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003MS4
Chemical Name:
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
CAS Number:
138564-59-7
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
MDL Number:
MFCD06408054
SMILES:
N#Cc1cc(sc1Nc1ccccc1[N+](=O)[O-])C
NSC Number:
700023
Properties
Properties
 
BP:
425.4°C at 760 mmHg  
Form:
Solid  
MP:
109.0 to 115.0 °C  
Storage:
Inert atmosphere;Room Temperature;  

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

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

Journal: The Journal of chemical physics 20120621

Title: Gel-induced selective crystallization of polymorphs.

Journal: Journal of the American Chemical Society 20120111

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

Journal: Accounts of chemical research 20100921

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

Journal: Acta crystallographica. Section E, Structure reports online 20100601

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

Journal: The Journal of chemical physics 20090821

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

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20090101

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

Journal: The journal of physical chemistry. B 20060420

Title: Cross-nucleation between ROY polymorphs.

Journal: Journal of the American Chemical Society 20051214

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

Journal: Journal of the American Chemical Society 20050713

Title: Crystalline polymorph selection and discovery with polymer heteronuclei.

Journal: Journal of the American Chemical Society 20050420

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

Journal: Journal of the American Chemical Society 20011107

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