AG004W85

833-47-6 | 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine

AG004W85

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CAS Number	833-47-6
Catalog Number	AG004W85(AGN-PC-0JNTEC)
Chemical Name	5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine
IUPAC Name	5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
InChI	InChI=1S/C8H6N4O2S/c9-8-11-10-7(15-8)5-2-1-3-6(4-5)12(13)14/h1-4H,(H2,9,11)
InChI Key	IQTFBFZCUYGFES-UHFFFAOYSA-N
MDL Number	MFCD00453655
Molecular Formula	C8H6N4O2S
Molecular Weight	222.2238
NSC Number	83130
SMILES	NC1=NN=C(C2=CC=CC([N+]([O-])=O)=C2)S1
Synonyms	5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine, 833-47-6, 5-(3-nitrophenyl)[1,3,4]thiadiazol-2-ylamine, IQTFBFZCUYGFES-UHFFFAOYSA-N, 5-(3-Nitro-phenyl)-[1,3,4]thiadiazol-2-ylamine, AK132977, 2-Amino-5-(m-nitrophenyl)-1,3,4-thiadiazole, 2-amino-5-(3-nitrophenyl)-1,3,4-thiadiazole, 5-(3-nitrophenyl)-1,3,4-thiadiazole-2-ylamine, 2-amino-5-(3-nitrophenyl)-(1,3,4)-thiadiazole, NSC83130, AC1L5UE3, MLS000711283, SCHEMBL367666, CHEMBL1299882, CTK5F0617, DTXSID20292480, HMS2628C17, ATD-0144, KS-00000IV8, ZX-AT013671, ZX-BK000561, 0286AF, BBL020416, KM2163, MFCD00453655, NSC-83130, STK731237, ZINC17744339, AKOS000225418, MCULE-5397332756, OR51736, NCGC00245159-01, AJ-70127, BAS 00599029, CS-10900, SMR000281050, ST046730, TR-040268, BB 0254431, 2-(m-Nitrophenyl)-5-amino-1,3,4-thiadiazole, 1,3,4-Thiadiazol, 2-amino-5-(m-nitrophenyl)-, 1,3,4-Thiadiazol-2-amine, 5-(3-nitrophenyl)-, 1,3,4-Thiadiazole, 2-amino-5-(m-nitrophenyl)-, 3-(5-Amino-1,3,4-thiadiazol-2-yl)nitrobenzene, 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine #, SR-01000512660, 5-(3-nitro-phenyl)-[1,3,4]thiadiazol -2-ylamine, SR-01000512660-1, 5-(3-Nitrophenyl)-1,3,4-thiadiazol-2-amine, AldrichCPR, A1029/0048195, C8H6N4O2S, CID256343,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.021g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.222g/mol
Monoisotopic Mass	222.021g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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