AG000XXX

128273-56-3 | Benzenemethanamine, 4-[(trifluoromethyl)thio]-

AG000XXX

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CAS Number	128273-56-3
Catalog Number	AG000XXX(AGN-PC-0KKYJ5)
Chemical Name	Benzenemethanamine, 4-[(trifluoromethyl)thio]-
IUPAC Name	[4-(trifluoromethylsulfanyl)phenyl]methanamine
InChI	InChI=1S/C8H8F3NS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
InChI Key	LACURGWEZCFLBO-UHFFFAOYSA-N
MDL Number	MFCD00190129
Molecular Formula	C8H8F3NS
Molecular Weight	207.2160
SMILES	NCc1ccc(cc1)SC(F)(F)F
Synonyms	4-(Trifluoromethylthio)benzylamine, 128273-56-3, (4-((trifluoromethyl)thio)phenyl)methanamine, [4-(trifluoromethylsulfanyl)phenyl]methanamine, {4-[(trifluoromethyl)sulfanyl]phenyl}methanamine, MFCD00190129, 1-(4-[(TRIFLUOROMETHYL)THIO]PHENYL)METHANAMINE, (4-(trifluoromethylthio)phenyl)methanamine, [4-(trifluoromethylthio)phenyl]methanamine, 1-{4-[(trifluoromethyl)thio]phenyl}methanamine, ACMC-1CHVC, rarechem al bw 0450, AC1MCS1J, AC1Q540D, SCHEMBL1146178, 4-(trifluomethylthio)benzylamine, 4-(trifluromethylthio)benzylamine, CTK4B5901, DTXSID60380693, 4-trifluoromethylthio benzyl amide, LACURGWEZCFLBO-UHFFFAOYSA-N, ACT01169, ZINC2556421, 4-trifluoromethylsulfanyl-benzylamine, 4-[(trifluoromethyl)thio]benzylamine, ANW-19060, BBL102590, SBB070441, STL556393, 4-(trifluoromethylthio)benzylamine98%, AKOS000130248, PS-8064, TRA0058461, VZ28048, 4-(trifluoromethylthio)benzylamine 98%, KS-000016T4, 4-(Trifluoromethylthio)benzylamine, 97%, AN-32456, SC-13989, [4-(trifluoromethylthio)phenyl]methylamine, AB0010951, DB-041889, RT-020122, TL8000691, FT-0616955, Benzenemethanamine,4-[(trifluoromethyl)thio]-, EN300-86539, K-3991, 273T563, A805803, I01-0303, J-005588, 1-{4-[(TRIFLUOROMETHYL)SULFANYL]PHENYL}METHANAMINE, C8H8F3NS, CID2777875, T2763, (R,R)-2,6-Bis(4-phenyl-2-oxazolinyl)pyridine, (+)-2,6-Bis[(4R)-4-phenyl-2-oxazolin-2-yl]pyridine, (R,R)-2,6-Bis(4,5-dihydro-4-phenyl-2-oxazolyl)pyridine,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.214g/mol
Monoisotopic Mass	207.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3267

Certificate of Analysis

Lot Number