AG007XDB

1615-41-4 | 1H-Imidazole,1-methyl-2-(methylthio)-5-nitro-

AG007XDB

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CAS Number	1615-41-4
Catalog Number	AG007XDB(AGN-PC-0JPON9)
Chemical Name	1H-Imidazole,1-methyl-2-(methylthio)-5-nitro-
IUPAC Name	1-methyl-2-methylsulfanyl-5-nitroimidazole
InChI	InChI=1S/C5H7N3O2S/c1-7-4(8(9)10)3-6-5(7)11-2/h3H,1-2H3
InChI Key	ZQLIPHIEXOWXGX-UHFFFAOYSA-N
MDL Number	MFCD25959712
Molecular Formula	C5H7N3O2S
Molecular Weight	173.1930
SMILES	N(=O)(=O)c1n(C)c(nc1)SC
Synonyms	sulfuridazole, 1615-41-4, 1-METHYL-2-(METHYLTHIO)-5-NITRO-1H-IMIDAZOLE, 1-methyl-2-methylsulfanyl-5-nitroimidazole, 1H-Imidazole, 1-methyl-2-(methylthio)-5-nitro-, 1-methyl-2-(methylsulfanyl)-5-nitro-1H-imidazole, Sulfuridazole, Sulphuridazole, AC1L4VMA, AC1Q20AM, SCHEMBL11347657, CTK4D0873, KS-00000TEG, ZINC5116578, MFCD25959712, SC5101, AK200921, DS-10244, 1-methyl-2-methylsulfanyl-5-nitro-imidazole, FT-0746846, 1H-Imidazole,1-methyl-2-(methylthio)-5-nitro-, (t-Butylimido)tris(diethylamino)niobium(V), min. 98%, C5H7N3O2S, C5-H7-N3-O2-S, AR-1C3445, CID164864, 19855-61-9,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.026g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.19g/mol
Monoisotopic Mass	173.026g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

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