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Dibenzothiophene,4-ethyl-

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Name

Dibenzothiophene,4-ethyl-

EINECS N/A
CAS No. 89816-99-9 Density 1.179 g/cm3
PSA 28.24000 LogP 4.61690
Solubility N/A Melting Point N/A
Formula C14H12S Boiling Point 359.3 °C at 760 mmHg
Molecular Weight 212.315 Flash Point 127.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 89816-99-9 (4-ETHYLDIBENZOTHIOPHENE) Hazard Symbols N/A
Synonyms

4-Ethyldibenzothiophene;

Article Data 5

Dibenzothiophene,4-ethyl- Specification

The Dibenzothiophene,4-ethyl-, with the CAS registry number 89816-99-9, is also known as Dibenzo[b,d]thiophene, 4-ethyl-. This chemical's molecular formula is C14H12S and molecular weight is 212.31. Its systematic name is called 4-ethyldibenzo[b,d]thiophene.

Physical properties of Dibenzothiophene,4-ethyl-: (1)ACD/LogP: 5.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 7116.8; (6)ACD/BCF (pH 7.4): 7116.8; (7)ACD/KOC (pH 5.5): 19909.32; (8)ACD/KOC (pH 7.4): 19909.32; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.704; (11)Molar Refractivity: 69.87 cm3; (12)Molar Volume: 179.9 cm3; (13)Surface Tension: 48.4 dyne/cm; (14)Density: 1.179 g/cm3; (15)Flash Point: 127.5 °C; (16)Enthalpy of Vaporization: 58.11 kJ/mol; (17)Boiling Point: 359.3 °C at 760 mmHg; (18)Vapour Pressure: 4.96E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s1c3c(c2cccc(c12)CC)cccc3
(2)InChI: InChI=1/C14H12S/c1-2-10-6-5-8-12-11-7-3-4-9-13(11)15-14(10)12/h3-9H,2H2,1H3
(3)InChIKey: BQANWUIWGKINGF-UHFFFAOYAX

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