3,3'-Dimercapto-[1,1'-biphenyl]-4,4'-dicarboxylic acid

C₁₄H₁₀O₄S₂CAS 343228-20-6306.35 g/mol

Open in Covalent MOL file

Carboxylic acid Thiol

Properties

Molecular formula: C₁₄H₁₀O₄S₂
Molar mass: 306.35 g/mol
Exact mass: 306.0021 Da
logP: 3.33Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

343228-20-6

SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)S)S)C(=O)O

InChIKey

WMVWIXQVNGAZRU-UHFFFAOYSA-N

InChI

InChI=1S/C14H10O4S2/c15-13(16)9-3-1-7(5-11(9)19)8-2-4-10(14(17)18)12(20)6-8/h1-6,19-20H,(H,15,16)(H,17,18)

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Names and synonyms

1 names

343228-20-6

Work with 3,3'-Dimercapto-[1,1'-biphenyl]-4,4'-dicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimercapto-1,4-benzenedicarboxylic acid25906-66-567 % similar 3,3′,4,4′-Biphenyltetracarboxylic acid22803-05-064 % similar Thiosalicylic acid147-93-360 % similar 3,3'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid1799740-97-858 % similar 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid861533-46-258 % similar 4,4'-Dihydroxybiphenyl-3,3'-dicarboxylic acid13987-45-653 % similar 1,4,5,8-Naphthalenetetracarboxylic acid128-97-250 % similar Pyromellitic acid89-05-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2′-Dithiodibenzoic acid119-80-2 3,3′-Dithiobis[benzoic acid]1227-49-2

Elsewhere

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