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89647-16-5 | Benzene, 1-methyl-4-[[2-methyl-2-[(phenylmethyl)thio]propyl]sulfonyl]-
CAS No: 89647-16-5 Catalog No: AG003VVF MDL No:
Product Description
Catalog Number:
AG003VVF
Chemical Name:
Benzene, 1-methyl-4-[[2-methyl-2-[(phenylmethyl)thio]propyl]sulfonyl]-
CAS Number:
89647-16-5
Molecular Formula:
C18H22O2S2
Molecular Weight:
334.4961
IUPAC Name:
1-(2-benzylsulfanyl-2-methylpropyl)sulfonyl-4-methylbenzene
InChI:
InChI=1S/C18H22O2S2/c1-15-9-11-17(12-10-15)22(19,20)14-18(2,3)21-13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChI Key:
RRLNIORMJDCELD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CC(SCc1ccccc1)(C)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.492g/mol
Monoisotopic Mass:
334.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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