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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N3O2S
Molecular Weight 259.284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYL-2-((2-NITROPHENYL)AMINO)-3-THIOPHENECARBONITRILE

SMILES

CC1=CC(C#N)=C(NC2=C(C=CC=C2)[N+]([O-])=O)S1

InChI

InChIKey=NPXUFPFFHANGDL-UHFFFAOYSA-N
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

HIDE SMILES / InChI

Molecular Formula C12H9N3O2S
Molecular Weight 259.284
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Analysis of conformational polymorphism in pharmaceutical solids using solid-state NMR and electronic structure calculations.
2006 Apr 20
Diffusion-controlled and "diffusionless" crystal growth near the glass transition temperature: relation between liquid dynamics and growth kinetics of seven ROY polymorphs.
2009 Aug 21
2-(2-Nitro-anilino)-5,6,7,8-tetra-hydro-4H-cyclo-hepta-[b]thio-phene-3-carbonitrile.
2010 May 15
Polymorphism in molecular solids: an extraordinary system of red, orange, and yellow crystals.
2010 Sep 21
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:29:22 GMT 2023
Edited
by admin
on Fri Dec 15 16:29:22 GMT 2023
Record UNII
J7X181M78Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-METHYL-2-((2-NITROPHENYL)AMINO)-3-THIOPHENECARBONITRILE
Systematic Name English
3-THIOPHENECARBONITRILE, 5-METHYL-2-((2-NITROPHENYL)AMINO)-
Systematic Name English
OLANZAPINE IMPURITY A [EP IMPURITY]
Common Name English
OLANZAPINE RELATED COMPOUND A [USP-RS]
Common Name English
OLANZAPINE RELATED COMPOUND A
USP   USP-RS  
Common Name English
2-(2-NITROANILINO)-5-METHYLTHIOPHENE-3-CARBONITRILE
Systematic Name English
OLANZAPINE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
138564-59-7
Created by admin on Fri Dec 15 16:29:22 GMT 2023 , Edited by admin on Fri Dec 15 16:29:22 GMT 2023
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WIKIPEDIA
5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile
Created by admin on Fri Dec 15 16:29:22 GMT 2023 , Edited by admin on Fri Dec 15 16:29:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID40160713
Created by admin on Fri Dec 15 16:29:22 GMT 2023 , Edited by admin on Fri Dec 15 16:29:22 GMT 2023
PRIMARY
RS_ITEM_NUM
1478312
Created by admin on Fri Dec 15 16:29:22 GMT 2023 , Edited by admin on Fri Dec 15 16:29:22 GMT 2023
PRIMARY
PUBCHEM
395460
Created by admin on Fri Dec 15 16:29:22 GMT 2023 , Edited by admin on Fri Dec 15 16:29:22 GMT 2023
PRIMARY
FDA UNII
J7X181M78Y
Created by admin on Fri Dec 15 16:29:22 GMT 2023 , Edited by admin on Fri Dec 15 16:29:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP