Dibenzothiophene,4-ethyl- supplier

Name
4-ETHYLDIBENZOTHIOPHENE
EINECS
CAS No. 89816-99-9
Article Data5
CAS DataBase
Density 1.179 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂S
Boiling Point 359.3 °C at 760 mmHg
Molecular Weight 212.315
Flash Point 127.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Ethyldibenzothiophene;
PSA 28.24000
LogP 4.61690

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

Product Name

4-ETHYLDIBENZOTHIOPHENE

Dibenzothiophene,4-ethyl- Specification

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