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89637-31-0 | Phosphonium, [2-(2-methyl-1,3-dithian-2-yl)ethyl]triphenyl-, perchlorate
CAS No: 89637-31-0 Catalog No: AG003WIF MDL No:
Product Description
Catalog Number:
AG003WIF
Chemical Name:
Phosphonium, [2-(2-methyl-1,3-dithian-2-yl)ethyl]triphenyl-, perchlorate
CAS Number:
89637-31-0
Molecular Formula:
C25H28ClO4PS2
Molecular Weight:
523.0442
IUPAC Name:
2-(2-methyl-1,3-dithian-2-yl)ethyl-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C25H28PS2.ClHO4/c1-25(27-20-11-21-28-25)18-19-26(22-12-5-2-6-13-22,23-14-7-3-8-15-23)24-16-9-4-10-17-24;2-1(3,4)5/h2-10,12-17H,11,18-21H2,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
FXNLPWINYRVTHW-UHFFFAOYSA-M
SMILES:
CC1(CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)SCCCS1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.086g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
523.039g/mol
Monoisotopic Mass:
522.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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