5-(4-Fluorophenyl)-3H-1,3,4-oxadiazole-2-thione supplier

Name
5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE
EINECS
CAS No. 41421-13-0
Article Data38
CAS DataBase
Density 1.48g/cm³
Solubility
Melting Point
Formula C₈H₅FN₂OS
Boiling Point 242.7 °C at 760 mmHg
Molecular Weight 196.205
Flash Point 100.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol;5-(4-fluorophenyl)-1,3,4-oxadiazole-2-thiol (IM OCS);
PSA 73.91000
LogP 2.53830

5-(4-Fluorophenyl)-3H-1,3,4-oxadiazole-2-thione Specification

The 5-(4-Fluorophenyl)-3H-1,3,4-oxadiazole-2-thione is an organic compound with the formula C₈H₅FN₂OS. The systematic name of this chemical is 5-(4-fluorophenyl)-1,3,4-oxadiazole-2(3H)-thione. With the CAS registry number 41421-13-0, it is also named as 1,3,4-oxadiazole-2-thiol, 5-(4-fluorophenyl)-.

Physical properties about 5-(4-Fluorophenyl)-3H-1,3,4-oxadiazole-2-thione are: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): 1.15; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 4.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 96.52; (7)ACD/KOC (pH 7.4): 12.3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 56.92 Å²; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 49 cm³; (14)Molar Volume: 131.8 cm³; (15)Polarizability: 19.42×10^-24cm³; (16)Surface Tension: 44.9 dyne/cm; (17)Density: 1.48 g/cm³; (18)Flash Point: 100.6 °C; (19)Enthalpy of Vaporization: 47.97 kJ/mol; (20)Boiling Point: 242.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0334 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1O\C(=N/N1)c2ccc(F)cc2
(2)InChI: InChI=1/C8H5FN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
(3)InChIKey: XKMWJXQWLNRDRC-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H5FN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)
(5)Std. InChIKey: XKMWJXQWLNRDRC-UHFFFAOYSA-N

Product Name

5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE

5-(4-Fluorophenyl)-3H-1,3,4-oxadiazole-2-thione Specification

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