4-ACETYLDIPHENYL SULFIDE

The Ethanone,1-[4-(phenylthio)phenyl]-, with the CAS registry number 10169-55-8, is also known as 1-(4-(Phenylthio)phenyl)ethan-1-one. Its EINECS number is 233-443-5. This chemical's molecular formula is C₁₄H₁₂OS and formula weight is 228.31. What's more, its IUPAC name is called 1-(4-phenylsulfanylphenyl)ethanone.

Physical properties of Ethanone,1-[4-(phenylthio)phenyl]-: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1009.94; (6)ACD/BCF (pH 7.4): 1009.94; (7)ACD/KOC (pH 5.5): 4921.25; (8)ACD/KOC (pH 7.4): 4921.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 68.84 cm³; (14)Molar Volume: 193.9 cm³; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 215 °C; (18)Enthalpy of Vaporization: 63.89 kJ/mol; (19)Boiling Point: 389.6 °C at 760 mmHg; (20)Vapour Pressure: 2.83E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(3-chloro-4-phenylsulfanyl-cyclohexa-1,3-dienyl)-ethanone. This reaction will need reagent DBU and solvent benzene. The reaction time is 3 hours by heating. The yield is about 100%.

Uses of Ethanone,1-[4-(phenylthio)phenyl]-: it can be used to produce 1-(4-benzenesulfonyl-phenyl)-ethanone. This reaction will need reagent bromine aqueous H₂O₂, acetic acid.



When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=CC=C(C=C1)SC2=CC=CC=C2
(2)InChI: InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
(3)InChIKey: XUDYHODVSUXRPW-UHFFFAOYSA-N