AG003MUW

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

AG003MUW

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CAS Number	138564-59-7
Catalog Number	AG003MUW(AGN-PC-0JQ60A)
Chemical Name	5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile
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
MDL Number	MFCD06408054
Molecular Formula	C12H9N3O2S
Molecular Weight	259.2838
NSC Number	700023
SMILES	N#CC1=C(NC2=CC=CC=C2[N+]([O-])=O)SC(C)=C1
UNII	J7X181M78Y
Synonyms	5-methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile, MNPATCN, ROY thiophenecarbonitrile, 138564-59-7, 5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile, 3-Cyano-5-methyl-2-(2-nitroanilino)thiophene, 5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile, UNII-J7X181M78Y, 2-(2-Nitroanilino)-5-methylthiophene-3-carbonitrile, 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile, 5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile, J7X181M78Y, 2-(2-Nitrophenylamine)-3-Cyano-5-Methylthiofuran, NSC700023, 2-(2-nitroanilino)-5-methyl-thiophene-3-carbonitrile, 5-methyl-2-(2-nitrophenylamino)thiophene-3-carbonitrile, 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile, 3-Thiophenecarbonitrile, 5-methyl-2-[(2-nitrophenyl)amino]-, AK-58891, AR-438/43237645, 5-methyl-2-(2-nitroanilino)-3-thiophenecarbonitrile, MNPATCN, 3-Thiophenecarbonitrile,5-methyl-2-[(2-nitrophenyl)amino]-, 2-(2-nitroanilino)-5-methyl-3-thiophenecarbonitrile, 2-{2-nitroanilino}-5-methyl-3-thiophenecarbonitrile, 3-Thiophenecarbonitrile, 5-methyl-2-((2-nitrophenyl)amino)-, Olanzapine impurity A, AC1L9AFC, ACMC-209v5o, EC 421-300-1, MLS006010893, Olanzapine Related Compound A, SCHEMBL725098, Olanzapine Impurity A (EP),, AC1Q214P, THI102, CHEMBL1990114, CTK4C1300, 5-methyl-?2-(2-nit?roanilino)-3-?thiophene?carbonitr?ile, DTXSID40160713, NPXUFPFFHANGDL-UHFFFAOYSA-N, BCP16531, KS-00000GT0, ZINC4101102, ZX-AT015679, ANW-44650, MFCD06408054, SBB102177, AKOS015899901, AC-1687, API0025200, NSC-700023, OR61176, QC-6128, TRA0059653, 2,3-Dichlorothiophene-5-sulphonylchloride, AJ-48060, AN-14678, AS-11429, BC200234, CC-14913, NCI60_035882, SMR002530034, AB0009926, AX8014451, DB-042432, TC-133395, FT-0643289, M2138, ST24029519, 564C597, A807401, C-16163, I14-11338, 2-(2-NITROANILINO)-5-METHYL THIOPHENE-3-CARBONITRILE, 2-(2-(Hydroxy(oxido)amino)anilino)-5-methyl-3-thiophenecarbonitrile, ROY, Not Available, TCN Intermediate, TCNI, Olanzapine EP Impurity A, C12H9N3O2S, C12-H9-N3-O2-S, AR-1G8740, CID395460, 2-(2-Chloroethoxy)benzene sulfonamide, ACN-040143, CS-O-31462, C105, 4,5-Dichlorothiophene-2-sulfonyl chloride, A2655, 5-Methyl-2-[ amino]thiophene-3-carbonitrile, 2-(2`-Nitrophenylamine)-3-Cyano-5-Methylthiofuran, 126714-85-0, 138967-27-8,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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