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124473-20-7 | Pyridinium, 4-methoxy-3-methyl-2-[(propyldithio)methyl]-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-, chloride (1:1)
CAS No: 124473-20-7 Catalog No: AG000M26 MDL No:
Product Description
Catalog Number:
AG000M26
Chemical Name:
Pyridinium, 4-methoxy-3-methyl-2-[(propyldithio)methyl]-1-(1,5,6,7-tetrahydro-5,5,7,7-tetramethyl-6-oxoindeno[5,6-d]imidazol-2-yl)-, chloride (1:1)
CAS Number:
124473-20-7
Molecular Formula:
C25H32ClN3O2S2
Molecular Weight:
506.1235
IUPAC Name:
2-[4-methoxy-3-methyl-2-[(propyldisulfanyl)methyl]pyridin-1-ium-1-yl]-5,5,7,7-tetramethyl-3H-cyclopenta[f]benzimidazol-6-one;chloride
InChI:
InChI=1S/C25H32N3O2S2.ClH/c1-8-11-31-32-14-20-15(2)21(30-7)9-10-28(20)23-26-18-12-16-17(13-19(18)27-23)25(5,6)22(29)24(16,3)4;/h9-10,12-13H,8,11,14H2,1-7H3,(H,26,27);1H/q+1;/p-1
InChI Key:
OHDKYWIUKSEZEE-UHFFFAOYSA-M
SMILES:
CCCSSCc1c(C)c(OC)cc[n+]1c1nc2c([nH]1)cc1c(c2)C(C)(C)C(=O)C1(C)C.[Cl-]
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.162g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.12g/mol
Monoisotopic Mass:
505.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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