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Name |
4-(4-Fluorophenyl)-1,3-thiazole-2-thiol |
EINECS | N/A |
CAS No. | 42365-73-1 | Density | 1.45 g/cm3 |
PSA | 79.93000 | LogP | 3.23790 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6FNS2 | Boiling Point | 327.5 °C at 760 mmHg |
Molecular Weight | 211.284 | Flash Point | 151.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 22-41 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione;2-thiazolethiol, 4-(4-fluorophenyl)-; |
Article Data | 2 |
The 4-(4-Fluorophenyl)-1,3-thiazole-2-thiol, with the CAS registry number 42365-73-1, is also known as 2-Thiazolethiol, 4-(4-fluorophenyl)-. This chemical's molecular formula is C9H6FNS2 and formula weight is 211.28. What's more, its systematic name is called 4-(4-fluorophenyl)-1,3-thiazole-2-thiol.
Physical properties of 4-(4-Fluorophenyl)-1,3-thiazole-2-thiol: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.72; (6)ACD/BCF (pH 7.4): 2.58; (7)ACD/KOC (pH 5.5): 58.87; (8)ACD/KOC (pH 7.4): 19.71; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.714; (13)Molar Refractivity: 57.17 cm3; (14)Molar Volume: 145.6 cm3; (15)Surface Tension: 64.5 dyne/cm; (16)Density: 1.45 g/cm3; (17)Flash Point: 151.9 °C; (18)Enthalpy of Vaporization: 56.99 kJ/mol; (19)Boiling Point: 327.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000201 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C2S\C=C(\c1ccc(F)cc1)N2
(2)InChI: InChI=1/C9H6FNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
(3)InChIKey: MWMWTZPSWBGHNI-UHFFFAOYAT