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Home Nitriles 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile

CAS No.:
138564-59-7
Catalog Number:
AG003MUW
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003MUW
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
IUPAC Name:
5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
InChI:
InChI=1S/C12H9N3O2S/c1-8-6-9(7-13)12(18-8)14-10-4-2-3-5-11(10)15(16)17/h2-6,14H,1H3
InChI Key:
NPXUFPFFHANGDL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1Nc1ccccc1[N+](=O)[O-])C
UNII:
J7X181M78Y
NSC Number:
700023
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
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
Properties