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16587-39-6

Basic Information
CAS No.: 16587-39-6
Name: 1,3-Diphenylbenzo[c]thiophene
Molecular Structure:
Molecular Structure of 16587-39-6 (1,3-Diphenylbenzo[c]thiophene)
Formula: C20H16S
Molecular Weight: 288.41
Synonyms: 1,3-Diphenylbenzo[c]thiophene;1,3-Diphenylisobenzothiophene;1,3-Diphenylisothianaphthene;1,3-Diphenylisothiobenzofuran;NSC 135959;
EINECS:
Density: 1.176 g/cm3
Melting Point: 114-119 °C
Boiling Point: 457.371 °C at 760 mmHg
Flash Point: 173.945 °C
Solubility:
Appearance: yellow fluffy powder
Hazard Symbols:
Risk Codes:
Safety: 24/25
Transport Information:
PSA: 25.30000
LogP: 5.62800
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  • 16587-39-6  C20H16S  1,3-DIPHENYLBENZO[C]THIOPHENE

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  • 1,3-Diphenyl-2-benzothiophene

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  • 1,3-Diphenylbenzo[c]thiophene cas  16587-39-6

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    16587-39-6

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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