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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
Crystalline polymorph selection and discovery with polymer heteronuclei.
2005 Apr 20
New polymorphs of ROY and new record for coexisting polymorphs of solved structures.
2005 Jul 13
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
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:29:22 UTC 2023
Edited
by admin
on Fri Dec 15 16:29:22 UTC 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 UTC 2023 , Edited by admin on Fri Dec 15 16:29:22 UTC 2023
PRIMARY
WIKIPEDIA
5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile
Created by admin on Fri Dec 15 16:29:22 UTC 2023 , Edited by admin on Fri Dec 15 16:29:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID40160713
Created by admin on Fri Dec 15 16:29:22 UTC 2023 , Edited by admin on Fri Dec 15 16:29:22 UTC 2023
PRIMARY
RS_ITEM_NUM
1478312
Created by admin on Fri Dec 15 16:29:22 UTC 2023 , Edited by admin on Fri Dec 15 16:29:22 UTC 2023
PRIMARY
PUBCHEM
395460
Created by admin on Fri Dec 15 16:29:22 UTC 2023 , Edited by admin on Fri Dec 15 16:29:22 UTC 2023
PRIMARY
FDA UNII
J7X181M78Y
Created by admin on Fri Dec 15 16:29:22 UTC 2023 , Edited by admin on Fri Dec 15 16:29:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP