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114688-58-3 | Benzene, 1,1',1''-[(phenylethylidyne)tris(thio)]tris- (9CI)
CAS No: 114688-58-3 Catalog No: AG000F1A MDL No:
Product Description
Catalog Number:
AG000F1A
Chemical Name:
Benzene, 1,1',1''-[(phenylethylidyne)tris(thio)]tris- (9CI)
CAS Number:
114688-58-3
Molecular Formula:
C26H22S3
Molecular Weight:
430.6479
IUPAC Name:
[2-phenyl-1,1-bis(phenylsulfanyl)ethyl]sulfanylbenzene
InChI:
InChI=1S/C26H22S3/c1-5-13-22(14-6-1)21-26(27-23-15-7-2-8-16-23,28-24-17-9-3-10-18-24)29-25-19-11-4-12-20-25/h1-20H,21H2
InChI Key:
QOKZRYSJGRGXKK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CC(Sc1ccccc1)(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.088g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.642g/mol
Monoisotopic Mass:
430.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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