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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 | Hazard Symbols | N/A | |
Synonyms |
4-Ethyldibenzothiophene; |
Article Data | 5 |
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