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3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid

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Name

3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid

EINECS N/A
CAS No. 339530-91-5 Density 1.376 g/cm3
PSA 82.83000 LogP 1.75340
Solubility N/A Melting Point N/A
Formula C10H11FO3S Boiling Point 392.121 °C at 760 mmHg
Molecular Weight 230.26 Flash Point 190.948 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 339530-91-5 (3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid) Hazard Symbols N/A
Synonyms

2-Hydroxy-2-methyl-3-(4-fluorophenylthio)propionicacid;2-Hydroxy-2-methyl-3-p-fluorophenylsulfanylpropionic acid;

Article Data 5

3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid Specification

The 3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid is an organic compound with the formula C10H11FO3S. The IUPAC name of this chemical is 3-(4-fluorophenyl)sulfanyl-2-hydroxy-2-methylpropanoic acid. With the CAS registry number 339530-91-5, it is also named as propanoic acid, 3-[(4-fluorophenyl)thio]-2-hydroxy-2-methyl-. The product's category is Bicalutamide.

Physical properties about 3-[(4-Fluorophenyl)thio]-2-hydroxy-2-methylpropanoic acid are: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 82.83 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 56.592 cm3; (13)Molar Volume: 167.288 cm3; (14)Polarizability: 22.435×10-24cm3; (15)Surface Tension: 56.727 dyne/cm; (16)Density: 1.376 g/cm3; (17)Flash Point: 190.948 °C; (18)Enthalpy of Vaporization: 67.692 kJ/mol; (19)Boiling Point: 392.121 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CSc1ccc(F)cc1)C
(2)InChI: InChI=1/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)
(3)InChIKey: CTYJERNWLVBMTF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H11FO3S/c1-10(14,9(12)13)6-15-8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)
(5)Std. InChIKey: CTYJERNWLVBMTF-UHFFFAOYSA-N

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