AG003EOC

103577-40-8 | 1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-

AG003EOC

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CAS Number	103577-40-8
Catalog Number	AG003EOC(AGN-PC-07A21N)
Chemical Name	1H-Benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-
EC Number	600-451-9
IUPAC Name	2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
InChI	InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
InChI Key	CCHLMSUZHFPSFC-UHFFFAOYSA-N
MDL Number	MFCD28016538
Molecular Formula	C16H14F3N3OS
Molecular Weight	353.3621
SMILES	S(Cc1c(C)c(OCC(F)(F)F)ccn1)c1nc2c([nH]1)cccc2
UNII	58XP950E2T
Synonyms	103577-40-8, LANSOPRAZOLE SULFIDE, 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole, 2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylthio-1H-benzimidazole, UNII-58XP950E2T, AG-1777, 58XP950E2T, H 225/18, LANSOPRAZOLE SULPHIDE COMPOUND, MFCD00834357, 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1H-benzimidazole, AK-86378, 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]-1H-benzimidazole, Q-200222, 1H-Benzimidazole,2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-, 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylsulfanyl]-1H-benzimidazole, 2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl ]methyl thio-1H-benzimidazole, Lansoprazole sulfide;, Lansoprazole impurity C [EP], PubChem7131, SMR000119917, ACMC-209wfq, CHEMBL899, EC 600-451-9, Lansoprazole EP Impurity C, AC1LM0R3, 2-[((3-METHYL-4-[2,2,2-, MLS000122531, SCHEMBL106519, CTK4A2198, KS-00000IMA, DTXSID60145906, CCHLMSUZHFPSFC-UHFFFAOYSA-N, HMS2365G10, ZINC815426, ACT03359, BCP12346, ANW-46308, TRIFLUOROETHOXY]-2 PYRIDINYL), AKOS000676433, AB07398, AC-1232, AG 1777, TRA0082148, 1H-Benzimidazole, 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)thio)-, AJ-23984, AN-15124, AS-13211, BAS 09531552, BC208529, H616, SC-00148, ZB014855, AB0013147, AX8017355, DB-000674, RT-013552, 4CH-009398, FT-0631026, M2800, ST24027396, K 1252, 577L408, 2-[[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRID-2YL]ME, 2-[[3-Methyl-4-(2,2,2-trifluoroethoxy)pyrid-2-yl]methylthio]benzimidazole, 2-[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridylmethylthio]benzimidazole, 2-((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methylthio)-1H-benzo[d]imidazole, 2-((METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINYL)THIO)-1H-BINZIMIDAZOLE, 2-([3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methyl)thio-1H-benzimidazole, 2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfanyl)-1H-1,3-benzodiazole, 2-[[(3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)PYRIDINYL)METHYL]THIO]-1H-BENZIMIDAZOLE, 2-[[[3 methyl-4-(2,2,2 trifluoroethoxy) 2-pyridyl]-methyl] thio]-1H-benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoro-ethoxy)-2-pyridinyl]methyl]-thio]1H-benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-methyl]thio]-1H-benzimidazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]-1h-benzimidazol, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]thio]benzimidazole, 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]-methyl]thio]benzimidazole, 2-[[[3-METHYL-4-(2,2,2-TRIFLUOROETHOXY)-2-PYRIDYL]METHYL]THIO]BENZIMIDAZOLE, 2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]sulphanyl]-1H-benzimidazole, 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylthio]-1H-benzimidazole, 2-[3-methyl-4-(2,2,2-trifluoro ethoxy)-2-pyridyl]methylthio-1H-benzimidazole, 2-[3-Methyl-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethylsulfanyl]-1H-benzoimidazole, 2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methylthio-1H-benzimidazole, 2-{[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylthio}-1H-benzimidazole, N-ISOPROPYLANILINE, C16H14F3N3OS, CL0016, -METHYL)THIO]-1H-BENZIMIDAZOLE, ACN-052257, CID1094080, CS-O-31884, K-1252, Lansoprazole sulfide, 98% - 100MG 100mg, 2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl)methyl)thio)-1H-benzimidazole,

Complexity	413
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	353.081g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	353.363g/mol
Monoisotopic Mass	353.081g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number