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141973-97-9 | Phosphonium, [2-cyano-1-[(ethylthio)methyl]ethyl]triphenyl-, iodide (1:1)
CAS No: 141973-97-9 Catalog No: AG001HH6 MDL No:
Product Description
Catalog Number:
AG001HH6
Chemical Name:
Phosphonium, [2-cyano-1-[(ethylthio)methyl]ethyl]triphenyl-, iodide (1:1)
CAS Number:
141973-97-9
Molecular Formula:
C24H25INPS
Molecular Weight:
517.4052
IUPAC Name:
(1-cyano-3-ethylsulfanylpropan-2-yl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C24H25NPS.HI/c1-2-27-20-24(18-19-25)26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,24H,2,18,20H2,1H3;1H/q+1;/p-1
InChI Key:
ODBNTJRCKUJARF-UHFFFAOYSA-M
SMILES:
CCSCC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC#N.[I-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.049g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
517.409g/mol
Monoisotopic Mass:
517.049g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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