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872692-82-5 | Phosphonium, (3-mercaptopropyl)triphenyl-, bromide
CAS No: 872692-82-5 Catalog No: AG004LTH MDL No:
Product Description
Catalog Number:
AG004LTH
Chemical Name:
Phosphonium, (3-mercaptopropyl)triphenyl-, bromide
CAS Number:
872692-82-5
Molecular Formula:
C21H22BrPS
Molecular Weight:
417.3421
IUPAC Name:
triphenyl(3-sulfanylpropyl)phosphanium;bromide
InChI:
InChI=1S/C21H21PS.BrH/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
InChI Key:
QQQZOCKWAKGIBQ-UHFFFAOYSA-N
SMILES:
SCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.036g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.345g/mol
Monoisotopic Mass:
416.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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