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1153-43-1 | Benzenesulfonothioic acid, 4-methoxy-, S-(4-methoxyphenyl) ester
CAS No: 1153-43-1 Catalog No: AG000GKL MDL No:
Product Description
Catalog Number:
AG000GKL
Chemical Name:
Benzenesulfonothioic acid, 4-methoxy-, S-(4-methoxyphenyl) ester
CAS Number:
1153-43-1
Molecular Formula:
C14H14O4S2
Molecular Weight:
310.3886
IUPAC Name:
1-methoxy-4-(4-methoxyphenyl)sulfonylsulfanylbenzene
InChI:
InChI=1S/C14H14O4S2/c1-17-11-3-7-13(8-4-11)19-20(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3
InChI Key:
UVFDAEOUCRNSKO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SS(=O)(=O)c1ccc(cc1)OC
NSC Number:
627781
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.382g/mol
Monoisotopic Mass:
310.033g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Unexpected differences in the alpha-halogenation and related reactivity of sulfones with perhaloalkanes in KOH-t-BuOH. | The Journal of organic chemistry 20030124 |
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