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330-85-8

Basic Information
CAS No.: 330-85-8
Name: 4-FLUORO DIPHENYL SULFIDE
Article Data: 73
Molecular Structure:
Molecular Structure of 330-85-8 (4-FLUORO DIPHENYL SULFIDE)
Formula: C12H9FS
Molecular Weight: 204.268
Synonyms: Sulfide,p-fluorophenyl phenyl (7CI,8CI);p-Fluorophenylphenyl sulfide;4-Fluorophenyl phenyl sulfide;
Density: 1.2 g/cm3
Boiling Point: 308.1 °C at 760 mmHg
Flash Point: 140.1 °C
PSA: 25.30000
LogP: 3.97690
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Specification

The Benzene,1-fluoro-4-(phenylthio)-, with the CAS registry number 330-85-8, is also known as 4-Fluorophenyl phenyl sulfide. This chemical's molecular formula is C12H9FS and molecular weight is 204.2632632. What's more, its systematic name is called 1-Fluoro-4-(phenylsulfanyl)benzene.

Physical properties about Benzene,1-fluoro-4-(phenylthio)- are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2364; (6)ACD/BCF (pH 7.4): 2364; (7)ACD/KOC (pH 5.5): 9047; (8)ACD/KOC (pH 7.4): 9047; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 59.587 cm3; (15)Molar Volume: 169.336 cm3; (16)Surface Tension: 44.429 dyne/cm; (17)Density: 1.206 g/cm3; (18)Flash Point: 140.114 °C; (19)Enthalpy of Vaporization: 52.681 kJ/mol; (20)Boiling Point: 308.067 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(Sc1ccccc1)cc2
(2) InChI: InChI=1/C12H9FS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
(3) InChIKey: GAIVWUFOYSDTHX-UHFFFAOYAB