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70615-81-5 | Phosphonium, [5-(methylthio)-2-phenyl-4-oxazolyl]triphenyl-, iodide
CAS No: 70615-81-5 Catalog No: AG0066NZ MDL No:
Product Description
Catalog Number:
AG0066NZ
Chemical Name:
Phosphonium, [5-(methylthio)-2-phenyl-4-oxazolyl]triphenyl-, iodide
CAS Number:
70615-81-5
Molecular Formula:
C28H23INOPS
Molecular Weight:
579.4316
IUPAC Name:
(5-methylsulfanyl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C28H23NOPS.HI/c1-32-28-27(29-26(30-28)22-14-6-2-7-15-22)31(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H/q+1;/p-1
InChI Key:
AZVWBBMEVMSBQB-UHFFFAOYSA-M
SMILES:
CSc1oc(nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.028g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
579.436g/mol
Monoisotopic Mass:
579.028g/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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