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89647-20-1 | Benzene, 1-methyl-4-[[2-[(triphenylmethyl)thio]ethyl]sulfonyl]-
CAS No: 89647-20-1 Catalog No: AG003VVD MDL No:
Product Description
Catalog Number:
AG003VVD
Chemical Name:
Benzene, 1-methyl-4-[[2-[(triphenylmethyl)thio]ethyl]sulfonyl]-
CAS Number:
89647-20-1
Molecular Formula:
C28H26O2S2
Molecular Weight:
458.6348
IUPAC Name:
1-methyl-4-(2-tritylsulfanylethylsulfonyl)benzene
InChI:
InChI=1S/C28H26O2S2/c1-23-17-19-27(20-18-23)32(29,30)22-21-31-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21-22H2,1H3
InChI Key:
RRNXAZYSXVQTLW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.137g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.634g/mol
Monoisotopic Mass:
458.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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