5,5'-Thiodisalicylic Acid
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
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.
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].
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
4
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
4
Exact Mass
306.01980921 g/mol
Monoisotopic Mass
306.01980921 g/mol
Topological Polar Surface Area
140Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
365
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
