AG00BC2I

255825-38-8 | 2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate

AG00BC2I

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CAS Number	255825-38-8
Catalog Number	AG00BC2I(AGN-PC-0R1DMW)
Chemical Name	2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate
IUPAC Name	[dimethylamino-(1-oxidopyridin-1-ium-2-yl)sulfanylmethylidene]-dimethylazanium;tetrafluoroborate
InChI	InChI=1S/C10H16N3OS.BF4/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
InChI Key	LHLFXDQURZVFLK-UHFFFAOYSA-N
MDL Number	MFCD05664718
Molecular Formula	C10H16BF4N3OS
Molecular Weight	313.1232
SMILES	F[B-](F)(F)F.CN(C)C(SC1=CC=CC=[N+]1[O-])=[N+](C)C
Synonyms	TOTT, 255825-38-8, 2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate, MFCD05664718, N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium tetrafluoroborate, S-(1-Oxo-2-pyridyl)-thio-N,N,N',N'-tetramethyluronium tetrafluoroborate, N,N,N inverted exclamation marka,N inverted exclamation marka-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium tetrafluoroborate, S-(2-Pyridyl)-N,N,N inverted exclamation marka,N inverted exclamation marka-tetramethylthiuronium N-oxide tetrafluoroborate, C10H16BF4N3OS, SCHEMBL526428, DTXSID20441572, CT-283, AKOS025293733, RL02851, AC-24885, ACM255825388, AN-29318, AS-17662, BC202367, FT-0654748, T3569, V1229, M-1224, J-505402, N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate, S-(1-Oxido-2-pyridyl)-N,N,N',N'-tetramethylthiuronium tetrafluoroborate, S-(2-Pyridyl)-N,N,N',N'-tetramethylthiuronium N-oxide tetrafluoroborate, S-(1-Oxido-2-pyridyl)-N,N,N',N'-tetramethylthiuronium tetrafluoroborate, >=95.0% (NMR), TOTT, 2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate, [dimethylamino-(1-oxidopyridin-1-ium-2-yl)sulfanyl-methylene]-dimethyl-ammonium tetrafluoroborate, [dimethylamino-(1-oxidopyridin-1-ium-2-yl)sulfanylmethylidene]-dimethylazanium,tetrafluoroborate, S-(1-Oxido-2-pyridyl)-N,N,N inverted exclamation marka,N inverted exclamation marka-tetramethylthiuronium tetrafluoroborate, CID10543173, 1-O-Methyl-3,5-bis-O-[(2,4-dichlorophenyl)methyl]-alpha-D-erthro-pentofuranoside-2-ulose, 2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate, 99% - 1G 1g, IUPAC: [dimethylamino-(1-oxidopyridin-6-yl)sulfanyl-methylidene]-dimethyl-azanium; Tetrafluoroboron,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	313.104g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	313.122g/mol
Monoisotopic Mass	313.104g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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