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89647-17-6 | Benzene, 1-methyl-4-[[2-methyl-2-[(1-methylethyl)thio]propyl]sulfonyl]-
CAS No: 89647-17-6 Catalog No: AG003VJZ MDL No:
Product Description
Catalog Number:
AG003VJZ
Chemical Name:
Benzene, 1-methyl-4-[[2-methyl-2-[(1-methylethyl)thio]propyl]sulfonyl]-
CAS Number:
89647-17-6
Molecular Formula:
C14H22O2S2
Molecular Weight:
286.4533
IUPAC Name:
1-methyl-4-(2-methyl-2-propan-2-ylsulfanylpropyl)sulfonylbenzene
InChI:
InChI=1S/C14H22O2S2/c1-11(2)17-14(4,5)10-18(15,16)13-8-6-12(3)7-9-13/h6-9,11H,10H2,1-5H3
InChI Key:
RFWWKOOKOHEAEW-UHFFFAOYSA-N
SMILES:
CC(SC(CS(=O)(=O)c1ccc(cc1)C)(C)C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.448g/mol
Monoisotopic Mass:
286.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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