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Basic Information
CAS No.: 387-27-9
Name: 3-(4-FLUOROPHENYL)-2-THIOXO-1,3-THIAZOLAN-4-ONE
Molecular Structure:
Molecular Structure of 387-27-9 (3-(4-FLUOROPHENYL)-2-THIOXO-1,3-THIAZOLAN-4-ONE)
Formula: C9H6FNOS2
Molecular Weight: 227.283
Synonyms: 3-(4-Fluoro-phenyl)-2-thioxo-thiazolidin-4-one;3-(4-Fluorophenyl)rhodanine;MFCD00174810;3-(4-Fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one;NSC290739;AC1L8ANO;AC1Q4M97;
Density: 1.53 g/cm3
Boiling Point: 339 °C at 760 mmHg
Flash Point: 158.9 °C
Hazard Symbols: IrritantXi
PSA: 77.70000
LogP: 2.25540
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Specification

The 4-Thiazolidinone,3-(4-fluorophenyl)-2-thioxo- with CAS registry number of 387-27-9 is also known as 3-(4-Fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one. The IUPAC name is 3-(4-Fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one. In addition, the formula is C9H6FNOS2 and the molecular weight is 227.28. What's more, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Thiazolidinone,3-(4-fluorophenyl)-2-thioxo- are: (1)ACD/LogP: 1.63; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 77.7Å2; (5)Index of Refraction: 1.707; (6)Molar Refractivity: 57.83 cm3; (7)Molar Volume: 148.4 cm3; (8)Polarizability: 22.92×10-24cm3; (9)Surface Tension: 71.9 dyne/cm; (10)Density: 1.53 g/cm3; (11)Flash Point: 158.9 °C; (12)Enthalpy of Vaporization: 58.25 kJ/mol; (13)Boiling Point: 339 °C at 760 mmHg; (14)Vapour Pressure: 9.43E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: S=C2SCC(=O)N2c1ccc(F)cc1
2. InChI: InChI=1/C9H6FNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
3. InChIKey: KQOPBWMREOTAOQ-UHFFFAOYAR
4. Std. InChI: InChI=1S/C9H6FNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
5. Std. InChIKey: KQOPBWMREOTAOQ-UHFFFAOYSA-N