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89647-19-8 | Benzene, 1-[[2-[(1,1-dimethylethyl)thio]ethyl]sulfonyl]-4-methyl-
CAS No: 89647-19-8 Catalog No: AG003VHI MDL No:
Product Description
Catalog Number:
AG003VHI
Chemical Name:
Benzene, 1-[[2-[(1,1-dimethylethyl)thio]ethyl]sulfonyl]-4-methyl-
CAS Number:
89647-19-8
Molecular Formula:
C13H20O2S2
Molecular Weight:
272.4267
IUPAC Name:
1-(2-tert-butylsulfanylethylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C13H20O2S2/c1-11-5-7-12(8-6-11)17(14,15)10-9-16-13(2,3)4/h5-8H,9-10H2,1-4H3
InChI Key:
LGMQQTFSOQKJEP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCSC(C)(C)C
Properties
Complexity:
314
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:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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