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168423-31-2

168423-31-2 | Phosphonium, (4-mercaptobutyl)triphenyl-, bromide (1:1)

CAS No: 168423-31-2 Catalog No: AG001Y1S MDL No:

Product Description

Catalog Number:
AG001Y1S
Chemical Name:
Phosphonium, (4-mercaptobutyl)triphenyl-, bromide (1:1)
CAS Number:
168423-31-2
Molecular Formula:
C22H24BrPS
Molecular Weight:
431.3687
IUPAC Name:
triphenyl(4-sulfanylbutyl)phosphanium;bromide
InChI:
InChI=1S/C22H23PS.BrH/c24-19-11-10-18-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChI Key:
HILSVOIVEJVFOZ-UHFFFAOYSA-N
SMILES:
SCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.052g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
431.372g/mol
Monoisotopic Mass:
430.052g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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