Products Categories
CAS No.: | 70547-50-1 |
---|---|
Name: | 5-METHYL-2-(4-PYRIDINYL)-1,3-THIAZOL-4-OL |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H8N2OS |
Molecular Weight: | 192.241 |
Synonyms: | 4-Hydroxy-5-methyl-2-(4-pyridyl)thiazole;5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-ol;ZINC00168296;AC1MC8LI;CHEMBL305455; |
Density: | 1.322 g/cm3 |
Melting Point: | 221-225 °C |
Boiling Point: | 398.6 °C at 760 mmHg |
Flash Point: | 194.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 74.25000 |
LogP: | 2.21910 |
What can I do for you?
Get Best Price
The 4-Thiazolol,5-methyl-2-(4-pyridinyl)- with CAS registry number of 70547-50-1 is also known as 5-Methyl-2-(4-pyridinyl)-1,3-thiazol-4-ol. The IUPAC name is 5-Methyl-2-pyridin-4-yl-1,3-thiazol-4-ol. In addition, the formula is C9H8N2OS and the molecular weight is 192.24.
Physical properties about 4-Thiazolol,5-methyl-2-(4-pyridinyl)- are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 7.52; (5)ACD/BCF (pH 7.4): 4.94; (6)ACD/KOC (pH 5.5): 146.39; (7)ACD/KOC (pH 7.4): 96.07; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 63.25Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 52.11 cm3; (14)Molar Volume: 145.3 cm3; (15)Polarizability: 20.66×10-24cm3; (16)Surface Tension: 60.1 dyne/cm; (17)Density: 1.322 g/cm3; (18)Flash Point: 194.9 °C; (19)Enthalpy of Vaporization: 67.46 kJ/mol; (20)Boiling Point: 398.6 °C at 760 mmHg; (21)Vapour Pressure: 6.32E-07 mmHg at 25 °C.
Preparation of 4-Thiazolol,5-methyl-2-(4-pyridinyl)-: it is prepared by reaction of isonicotinonitrile with 2-mercapto-propionic acid. The reaction needs reagent pyridine at the temperature of 100 °C for 2 hours. The yield is about 55%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: n2ccc(c1nc(O)c(s1)C)cc2
2. InChI: InChI=1/C9H8N2OS/c1-6-8(12)11-9(13-6)7-2-4-10-5-3-7/h2-5,12H,1H3
3. InChIKey: PALKTPOWWUCIKE-UHFFFAOYAX
4. Std. InChI: InChI=1S/C9H8N2OS/c1-6-8(12)11-9(13-6)7-2-4-10-5-3-7/h2-5,12H,1H3
5. Std. InChIKey: PALKTPOWWUCIKE-UHFFFAOYSA-N