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143824-89-9 | Acridinium, 10-methyl-9-[[(2-methyl-3-furanyl)thio]carbonyl]-
CAS No: 143824-89-9 Catalog No: AG001IFM MDL No:
Product Description
Catalog Number:
AG001IFM
Chemical Name:
Acridinium, 10-methyl-9-[[(2-methyl-3-furanyl)thio]carbonyl]-
CAS Number:
143824-89-9
Molecular Formula:
C20H16NO2S+
Molecular Weight:
334.4115
IUPAC Name:
S-(2-methylfuran-3-yl) 10-methylacridin-10-ium-9-carbothioate
InChI:
InChI=1S/C20H16NO2S/c1-13-18(11-12-23-13)24-20(22)19-14-7-3-5-9-16(14)21(2)17-10-6-4-8-15(17)19/h3-12H,1-2H3/q+1
InChI Key:
SJVNOCJGJKGQBY-UHFFFAOYSA-N
SMILES:
O=C(c1c2ccccc2[n+](c2c1cccc2)C)Sc1ccoc1C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.09g/mol
Formal Charge:
1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.413g/mol
Monoisotopic Mass:
334.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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