Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis- supplier

Name
Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis-
EINECS
CAS No. 5335-82-0
Article Data15
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄O₂S₂
Boiling Point 461.1 °C at 760 mmHg
Molecular Weight 302.418
Flash Point 199.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone, 4,4''-dithiodi- (6CI);Acetophenone,4',4'''-dithiodi- (7CI,8CI);NSC 986;
PSA
LogP

Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis- Specification

The Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis-, with the CAS registry number 5335-82-0, is also known as Acetophenone, 4,4''-dithiodi- (6CI). This chemical's molecular formula is C₁₆H₁₄O₂S₂ and molecular weight is 302.4112. What's more, its systematic name is called 1,1'-(Disulfanediyldibenzene-4,1-diyl)diethanone.

Physical properties about Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 84.74 Å²; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 86.23 cm³; (9)Molar Volume: 237 cm³; (10)Surface Tension: 56.3 dyne/cm; (11)Density: 1.27 g/cm³; (12)Flash Point: 199.3 °C; (13)Enthalpy of Vaporization: 72.19 kJ/mol; (14)Boiling Point: 461.1 °C at 760 mmHg; (15)Vapour Pressure: 1.1E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2ccc(SSc1ccc(cc1)C(=O)C)cc2)C
(2) InChI: InChI=1/C16H14O2S2/c1-11(17)13-3-7-15(8-4-13)19-20-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
(3) InChIKey: KIRIOGATKMSJIW-UHFFFAOYAO

Product Name

Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis-

Ethanone, 1,1'-(dithiodi-4,1-phenylene)bis- Specification

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