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90283-69-5

90283-69-5 | Phosphonium, [1-(benzoylamino)-2-(methylthio)ethenyl]triphenyl-, iodide

CAS No: 90283-69-5 Catalog No: AG006GO8 MDL No:

Product Description

Catalog Number:
AG006GO8
Chemical Name:
Phosphonium, [1-(benzoylamino)-2-(methylthio)ethenyl]triphenyl-, iodide
CAS Number:
90283-69-5
Molecular Formula:
C28H25INOPS
Molecular Weight:
581.4474
IUPAC Name:
(1-benzamido-2-methylsulfanylethenyl)-triphenylphosphanium;iodide
InChI:
InChI=1S/C28H24NOPS.HI/c1-32-22-27(29-28(30)23-14-6-2-7-15-23)31(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;1H
InChI Key:
BWFQBBSPRZPYBV-UHFFFAOYSA-N
SMILES:
CSC=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1.[I-]

Properties

Complexity:
565  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
581.044g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
581.452g/mol
Monoisotopic Mass:
581.044g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  

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