5,5'-Thiodisalicylic Acid

Inquiry

Molecular Formula:

C14H10O6S

Molecular Weight:

306.29

CAS Number:

1820-99-1

Catalog Number:

1820-99-1

Product Information

Molecular Formula:

C14H10O6S

Molecular Weight:

306.29

Description

5,5'-Thiodisalicylic Acid is a prominent compound in the biomedical field and exhibits remarkable indispensability for the cultivation of pharmaceutical treatments that aim to counteract inflammatory disorders and autoimmune afflictions. The distinctive configuration of its chemical composition enables it to proficiently impede specific enzymes intricately linked to these distressing maladies.

Synonyms

Benzoic acid, 3,3'-thiobis[6-hydroxy-; Thiodisalicylic acid; 5,5'-Thiobis(2-hydroxybenzoic acid); 5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid; Benzoic acid, 3,3'-thiobis(6-hydroxy-; Salicylic acid der.; 5-(3-carboxy-4-hydroxy-phenyl)sulfanyl-2-hydroxy-benzoic acid;

IUPAC Name

5-(3-carboxy-4-hydroxyphenyl)sulfanyl-2-hydroxybenzoic acid

Canonical SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C14H10O6S/c15-11-3-1-7(5-9(11)13(17)18)21-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)

InChI Key

DWMJRSPNFCPIQN-UHFFFAOYSA-N

Purity

>98.0%(GC)(T)

Appearance

White to Light yellow powder to crystal

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

3.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

306.01980921 g/mol

Monoisotopic Mass

306.01980921 g/mol

Topological Polar Surface Area

140Å²

Heavy Atom Count

Formal Charge

Complexity

365

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022041899-A	Resin composition, resin film and display device	2020-08-31
JP-2022041900-A	Laminates and display devices	2020-08-31
JP-2022041901-A	Laminates and display devices	2020-08-31
WO-2022044822-A1	Resin composition, resin film, and display device	2020-08-31
WO-2022044823-A1	Layered body and display device	2020-08-31
WO-2022044824-A1	Layered body and display device	2020-08-31
JP-2021175793-A	Curable composition, wavelength conversion film, light emitting device and image display device	2020-04-28
JP-2021161392-A	Curable resin composition and display device	2020-03-31
JP-2021161393-A	Curable resin composition and display device	2020-03-31
JP-2021161394-A	Curable resin composition and display device	2020-03-31

Literatures

PMID	Publication Date	Title	Journal
9294866	1997-09-01	Specificity in structure-based drug design: identification of a novel, selective inhibitor of Pneumocystis carinii dihydrofolate reductase	Proteins

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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