200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 124474-45-9
124474-45-9 | Pyridinium, 4-methoxy-3-methyl-2-[(propyldithio)methyl]-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-, chloride (1:1)
CAS No: 124474-45-9 Catalog No: AG000M1Z MDL No:
Product Description
Catalog Number:
AG000M1Z
Chemical Name:
Pyridinium, 4-methoxy-3-methyl-2-[(propyldithio)methyl]-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-, chloride (1:1)
CAS Number:
124474-45-9
Molecular Formula:
C19H21ClF3N3OS2
Molecular Weight:
463.9677
IUPAC Name:
2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-6-(trifluoromethyl)-1H-benzimidazole;chloride
InChI:
InChI=1S/C19H21F3N3OS2.ClH/c1-4-9-27-28-11-16-12(2)17(26-3)7-8-25(16)18-23-14-6-5-13(19(20,21)22)10-15(14)24-18;/h5-8,10H,4,9,11H2,1-3H3,(H,23,24);1H/q+1;/p-1
InChI Key:
LNQOPXFJCSWYIC-UHFFFAOYSA-M
SMILES:
CCCSSCc1c(C)c(OC)cc[n+]1c1nc2c([nH]1)cc(cc2)C(F)(F)F.[Cl-]
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.077g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
463.962g/mol
Monoisotopic Mass:
463.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.