| Identification | |
| Name: | 4-Thiazolidinecarboxylicacid, 2-(3-fluorophenyl)- |
| Synonyms: | 2-(3-fluorophenyl)-1,3-thiazolane-4-carboxylic acid;2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid;4-thiazolidinecarboxylic acid, 2-(3-fluorophenyl)-; |
| CAS: | 333408-47-2 |
| Molecular Formula: | C10H10FNO2S |
| Molecular Weight: | 227.26 |
| InChI: | InChI=1/C10H10FNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.378 |
| Refractive index: | 1.593 |
| Specification: |
The 2-(3-Fluorophenyl)-4-thiazolidinecarboxylic acid, with the CAS registry number 333408-47-2, is also called 4-thiazolidinecarboxylic acid, 2-(3-fluorophenyl)-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H10FNO2S. The characteristics of 2-(3-Fluorophenyl)-4-thiazolidinecarboxylic acid are as followings: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -1.02; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.84 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.89 cm3; (15)Molar Volume: 164.8 cm3; (16)Polarizability: 22.15×10-24cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.378 g/cm3; (19)Flash Point: 211.1 °C; (20)Enthalpy of Vaporization: 71.7 kJ/mol; (21)Boiling Point: 425.5 °C at 760 mmHg; (22)Vapour Pressure: 5.36E-08 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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