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137554-58-6 | Phosphonium, triphenyl[2-phenyl-5-[(phenylmethyl)thio]-4-thiazolyl]-, perchlorate (1:1)
CAS No: 137554-58-6 Catalog No: AG0013JI MDL No:
Product Description
Catalog Number:
AG0013JI
Chemical Name:
Phosphonium, triphenyl[2-phenyl-5-[(phenylmethyl)thio]-4-thiazolyl]-, perchlorate (1:1)
CAS Number:
137554-58-6
Molecular Formula:
C34H27ClNO4PS2
Molecular Weight:
644.1392
IUPAC Name:
(5-benzylsulfanyl-2-phenyl-1,3-thiazol-4-yl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C34H27NPS2.ClHO4/c1-6-16-27(17-7-1)26-37-34-32(35-33(38-34)28-18-8-2-9-19-28)36(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31;2-1(3,4)5/h1-25H,26H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
LLJWMPNFODFVQA-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)CSc1sc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
737
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.081g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
644.137g/mol
Monoisotopic Mass:
643.081g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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