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1155-51-7 | Benzoic acid, 4,4'-dithiobis-
CAS No: 1155-51-7 Catalog No: AG000G2O MDL No:MFCD00045857
Product Description
Catalog Number:
AG000G2O
Chemical Name:
Benzoic acid, 4,4'-dithiobis-
CAS Number:
1155-51-7
Molecular Formula:
C14H10O4S2
Molecular Weight:
306.3568
MDL Number:
MFCD00045857
IUPAC Name:
4-[(4-carboxyphenyl)disulfanyl]benzoic acid
InChI:
InChI=1S/C14H10O4S2/c15-13(16)9-1-5-11(6-2-9)19-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
GAMSSMZJKUMFEY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)SSc1ccc(cc1)C(=O)O
NSC Number:
210281
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.35g/mol
Monoisotopic Mass:
306.002g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Three-dimensional networks in bis(imidazolium) 2,2'-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate. | Acta crystallographica. Section C, Crystal structure communications 20090901 |
| Molecularly imprinted tunable binding sites based on conjugated prosthetic groups and ion-paired cofactors. | Journal of the American Chemical Society 20090701 |
| 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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