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1,3-Diphenylbenzo[c]thiophene

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Name

1,3-Diphenylbenzo[c]thiophene

EINECS N/A
CAS No. 16587-39-6 Density 1.176 g/cm3
PSA 25.30000 LogP 5.62800
Solubility N/A Melting Point 114-119 °C
Formula C20H16S Boiling Point 457.371 °C at 760 mmHg
Molecular Weight 286.397 Flash Point 173.945 °C
Transport Information N/A Appearance yellow fluffy powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 16587-39-6 (1,3-Diphenylbenzo[c]thiophene) Hazard Symbols N/A
Synonyms

1,3-Diphenylbenzo[c]thiophene;1,3-Diphenylisobenzothiophene;1,3-Diphenylisothianaphthene;1,3-Diphenylisothiobenzofuran;NSC 135959;

Article Data 7

1,3-Diphenylbenzo[c]thiophene Specification

This chemical is called 1,3-Diphenyl-2-benzothiophene, and its CAS registry number is 16587-39-6. With the molecular formula of C20H16S, its molecular weight is 288.41. In addition, this chemical should be sealed in the cool and dry plcace. If you use this chemical, please avoid contacting with skin and eyes.

Other characteristics of the 1,3-Diphenyl-2-benzothiophene can be summarised as followings: (1)ACD/LogP: 7.18; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 28.24 Å2; (7)Index of Refraction: 1.676; (8)Molar Refractivity: 91.66 cm3; (9)Molar Volume: 243.5 cm3; (10)Polarizability: 36.33×10-24cm3; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.175 g/cm3; (13)Flash Point: 173.9 °C; (14)Enthalpy of Vaporization: 69 kJ/mol; (15)Boiling Point: 457.4 °C at 760 mmHg; (16)Vapour Pressure: 4.07E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: s2c(c1ccccc1c2c3ccccc3)c4ccccc4
2.InChI: InChI=1/C20H14S/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
3.InChIKey: RQXSNTYLVXFUAA-UHFFFAOYAN

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