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144773-60-4 | Thiazolium, 4,5-dihydro-3-methyl-2-[2-[3-[2-(3-methyl-2-thiazolidinylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-, perchlorate (1:1)
CAS No: 144773-60-4 Catalog No: AG001K53 MDL No:
Product Description
Catalog Number:
AG001K53
Chemical Name:
Thiazolium, 4,5-dihydro-3-methyl-2-[2-[3-[2-(3-methyl-2-thiazolidinylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl]ethenyl]-, perchlorate (1:1)
CAS Number:
144773-60-4
Molecular Formula:
C23H27ClN2O4S2
Molecular Weight:
495.0545
IUPAC Name:
3-methyl-2-[2-[3-[2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]-1,3-thiazolidine;perchlorate
InChI:
InChI=1S/C23H27N2S2.ClHO4/c1-24-14-16-26-21(24)12-10-19-8-9-20(11-13-22-25(2)15-17-27-22)23(19)18-6-4-3-5-7-18;2-1(3,4)5/h3-7,10-13H,8-9,14-17H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
OODDJJKYGORQGC-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CN1CCSC1=CC=C1CCC(=C1c1ccccc1)C=CC1=[N+](C)CCS1
Properties
Complexity:
769
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.11g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.049g/mol
Monoisotopic Mass:
494.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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