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Home Other Building Blocks 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)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole

CAS No.:
103577-40-8
Catalog Number:
AG003EOC
Molecular Formula:
C16H14F3N3OS
Molecular Weight:
353.3621
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(GC)
In Stock USA
United States
$80
- +
1g
98%(GC)
In Stock USA
United States
$200
- +
5g
98%(GC)
In Stock USA
United States
$743
- +
Product Description
Catalog Number:
AG003EOC
Chemical Name:
2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)thio)-1H-benzo[d]imidazole
CAS Number:
103577-40-8
Molecular Formula:
C16H14F3N3OS
Molecular Weight:
353.3621
MDL Number:
MFCD28016538
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
SMILES:
Cc1c(nccc1OCC(F)(F)F)CSc1nc2c([nH]1)cccc2
EC Number:
600-451-9
UNII:
58XP950E2T
Properties
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  
Literature
Title Journal
2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole monohydrate: a monoclinic polymorph. Acta crystallographica. Section E, Structure reports online 20120701
2-{[3-Methyl-4-(2,2,2-trifluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-benzimidazole monohydrate. Acta crystallographica. Section E, Structure reports online 20110201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties