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122418-68-2 | Phosphonium, [2-(1,1-dimethylethyl)-5-(methylthio)-4-oxazolyl]triphenyl-, iodide (1:1)
CAS No: 122418-68-2 Catalog No: AG001779 MDL No:
Product Description
Catalog Number:
AG001779
Chemical Name:
Phosphonium, [2-(1,1-dimethylethyl)-5-(methylthio)-4-oxazolyl]triphenyl-, iodide (1:1)
CAS Number:
122418-68-2
Molecular Formula:
C26H27INOPS
Molecular Weight:
559.4419
IUPAC Name:
(2-tert-butyl-5-methylsulfanyl-1,3-oxazol-4-yl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C26H27NOPS.HI/c1-26(2,3)25-27-23(24(28-25)30-4)29(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22;/h5-19H,1-4H3;1H/q+1;/p-1
InChI Key:
QVRIQUXEXJBADI-UHFFFAOYSA-M
SMILES:
CSc1oc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C.[I-]
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
559.06g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
559.446g/mol
Monoisotopic Mass:
559.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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