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119-80-2 | Benzoic acid, 2,2'-dithiobis-
CAS No: 119-80-2 Catalog No: AG000OZN MDL No:MFCD00002465
Product Description
Catalog Number:
AG000OZN
Chemical Name:
Benzoic acid, 2,2'-dithiobis-
CAS Number:
119-80-2
Molecular Formula:
C14H10O4S2
Molecular Weight:
306.3568
MDL Number:
MFCD00002465
IUPAC Name:
2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChI:
InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
LBEMXJWGHIEXRA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SSc1ccccc1C(=O)O
EC Number:
204-352-8
UNII:
58MGB5279D
RTECS Number:
DG9660000
Properties
Complexity:
327
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 |
|---|---|
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| 2,2'-(Disulfanediyl)dibenzoic acid-N,N'-bis-(3-pyridyl-meth-yl)ethane-diamide (1/1). | Acta crystallographica. Section E, Structure reports online 20101001 |
| 2,2'-(Disulfanedi-yl)dibenzoic acid-N,N'-bis-(4-pyridyl-meth-yl)ethane-dithio-amide (1/1). | Acta crystallographica. Section E, Structure reports online 20101001 |
| 2,2'-(Disulfanedi-yl)dibenzoic acid-2,9-dimethyl-phenanthroline-tetra-hydro-furan (1/2/1). | Acta crystallographica. Section E, Structure reports online 20101001 |
| Dimethyl 2,2'-[ethane-1,2-diylbis(sulfanedi-yl)]dibenzoate. | Acta crystallographica. Section E, Structure reports online 20100701 |
| 2,2'-Imino-diethanaminium 2,2'-(disulfanyldi-yl)dibenzoate dihydrate. | Acta crystallographica. Section E, Structure reports online 20100301 |
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| catena-Poly[[[bis-(1,10-phenanthroline-κN,N')manganese(II)]-μ-2,2'-dithio-dibenzoato-κO,O] methanol hemisolvate monohydrate]. | Acta crystallographica. Section E, Structure reports online 20091001 |
| A luminescent homochiral 3D Cd(II) framework with a threefold interpenetrating uniform net 8(6). | Chemical communications (Cambridge, England) 20090921 |
| 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 |
| Hydrogen-bonded zigzag chains in 2,2'-dithiodibenzoic acid-1,3-di-4-pyridylpropane (1/1). | 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 |
| Poly[[diaqua-bis(μ(2)-4,4'-bipyridine)-manganese(II)] bis-[2-(2-carboxy-phenyl-di-sulfanyl)benzoate]]. | Acta crystallographica. Section E, Structure reports online 20090501 |
| Hydrogen-bonded layers in the 1:2 cocrystal of 2,2'-dithiodibenzoic acid with isonicotinohydrazide. | Acta crystallographica. Section C, Crystal structure communications 20080501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Reactions of 2-mercaptobenzoic acid with divalent alkaline earth metal ions: synthesis, spectral studies, and single-crystal X-ray structures of calcium, strontium, and barium complexes of 2,2'-dithiobis(benzoic acid). | Inorganic chemistry 20011231 |
| 2,2'-Dithiobisbenzamides and 2-benzisothiazolones, two new classes of antiretroviral agents: SAR and mechanistic considerations. | Drug design and discovery 19970501 |
| A new class of anti-HIV-1 agents targeted toward the nucleocapsid protein NCp7: the 2,2'-dithiobisbenzamides. | Bioorganic & medicinal chemistry 19970301 |
| The human immunodeficiency virus type 1 (HIV-1) nucleocapsid protein zinc ejection activity of disulfide benzamides and benzisothiazolones: correlation with anti-HIV and virucidal activities. | Antimicrobial agents and chemotherapy 19970201 |
| 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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