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2943-42-2 | Benzenesulfonothioic acid, 4-methyl-, S-(4-methylphenyl) ester
CAS No: 2943-42-2 Catalog No: AG002YDE MDL No:MFCD00092126
Product Description
Catalog Number:
AG002YDE
Chemical Name:
Benzenesulfonothioic acid, 4-methyl-, S-(4-methylphenyl) ester
CAS Number:
2943-42-2
Molecular Formula:
C14H14O2S2
Molecular Weight:
278.3898
MDL Number:
MFCD00092126
IUPAC Name:
1-methyl-4-(4-methylphenyl)sulfonylsulfanylbenzene
InChI:
InChI=1S/C14H14O2S2/c1-11-3-7-13(8-4-11)17-18(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
HSAROCRPZOYKGS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)SS(=O)(=O)c1ccc(cc1)C
NSC Number:
86030
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.384g/mol
Monoisotopic Mass:
278.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Evaluation of selected chemotypes in coupled cellular and molecular target-based screens identifies novel HIV-1 zinc finger inhibitors. | Journal of medicinal chemistry 19960913 |
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