Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Mercaptopyridine |
EINECS | 224-926-1 |
CAS No. | 4556-23-4 | Density | 1.2 g/cm3 |
PSA | 51.69000 | LogP | 1.37030 |
Solubility | N/A | Melting Point |
182-189 °C |
Formula | C5H5NS | Boiling Point | 176.5 °C at 760 mmHg |
Molecular Weight | 111.167 | Flash Point | 60.5 °C |
Transport Information | N/A | Appearance | Yellow to light yellow crystalline powder |
Safety | 26-37/39-24/25 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Pyridinethiol;4-Sulfanylpyridine;4-Thiopyridine;NSC 76036; |
Article Data | 22 |
Conditions | Yield |
---|---|
With 4-(2-pyridyl)pyridine; potassium tert-butylate In ammonia at -40℃; electrolysis; | A 75% B 5% |
With 4-(2-pyridyl)pyridine; potassium tert-butylate In ammonia at -40℃; Rate constant; electrochemical reaction; | A 75% B 5% |
Conditions | Yield |
---|---|
With hydrogen sulfide at 140℃; |
Conditions | Yield |
---|---|
With phosphorous (V) sulfide at 60 - 70℃; | |
With phosphorous (V) sulfide; xylene |
Conditions | Yield |
---|---|
With ethanol; water; potassium hydrosulfide at 140℃; | |
With sodium thioethylate In N,N-dimethyl-formamide for 16h; Heating; | |
With sodium hydrogen sulfide |
4-pyridinethione
pyridine-4-thiol
Conditions | Yield |
---|---|
In cyclohexane Thermodynamic data; Free energy difference between protomers; other solvents; |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; sulfur 1.) 210 deg C, NaOH-KOH melt, 2 min.; 2.) water; Yield given. Multistep reaction; |
1-(4-pyridyl)pyridinium chloride hydrochloride
A
pyridine-4-thiol
B
4,4'-thiobispyridine
Conditions | Yield |
---|---|
With pyridine; thiourea at 150 - 180℃; |
bis(4-pyridyl) disulfide
A
pyridine-4-thiol
B
myo-inositol-1,2-cyclic phosphate
Conditions | Yield |
---|---|
With phosphatidylinositol-specific phospholipase C from Bacillus cereus Product distribution; other reagents, relative velocities; |
Conditions | Yield |
---|---|
With bovine serum albumin pH=4.5 - 10.5; Kinetics; | |
With trimethylphosphane In ethanol at 20℃; for 4h; |
The CAS registry number of 4-Mercaptopyridine is 4556-23-4. The IUPAC name is pyridine-4(1H)-thione. Its EINECS registry number is 224-926-1. In addition, the molecula formula is C5H5NS and the molecular weight is 111.16. It belongs to the class of Pyridine. And it is yellow to light yellow crystalline powder. It should be stored in a cool, ventilated and dry place.
Physical properties about this chemical are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)ACD/LogD (pH 7.4): -1.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 33.73 cm3; (15)Molar Volume: 92 cm3; (16)Polarizability: 13.37 ×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 60.5 °C; (20)Enthalpy of Vaporization: 41.28 kJ/mol; (21)Boiling Point: 176.5 °C at 760 mmHg; (22)Vapour Pressure: 1.09 mmHg at 25°C.
Uses of 4-Mercaptopyridine: it can react with 3-chloromethyl-3H-benzooxazole-2-thione to get 3-(pyridin-4-ylsulfanylmethyl)-3H-benzooxazole-2-thione. This reaction will need reagent EtONa and solvent ethanol. The reaction time is 4 hours by heating. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. What's more, you should avoid contact with skin and eyes. This material may have harm to the environment, especially to the water.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C\1\C=C/N/C=C/1
(2)InChI: InChI=1/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
(3)InChIKey: FHTDDANQIMVWKZ-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
bird - wild | LD50 | oral | 750mg/kg (750mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983. | |
mouse | LD50 | intravenous | 178mg/kg (178mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00422, |