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89647-14-3 | Benzene, 1-[[2-(butylthio)ethyl]sulfonyl]-4-methyl-
CAS No: 89647-14-3 Catalog No: AG003VHK MDL No:
Product Description
Catalog Number:
AG003VHK
Chemical Name:
Benzene, 1-[[2-(butylthio)ethyl]sulfonyl]-4-methyl-
CAS Number:
89647-14-3
Molecular Formula:
C13H20O2S2
Molecular Weight:
272.4267
IUPAC Name:
1-(2-butylsulfanylethylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C13H20O2S2/c1-3-4-9-16-10-11-17(14,15)13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3
InChI Key:
OBSRYVIXQVIKOI-UHFFFAOYSA-N
SMILES:
CCCCSCCS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.421g/mol
Monoisotopic Mass:
272.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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