CAS No.135926-93-1,3,4'-Dihexyl-2,2'-bithiophene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135926-93-1
Name:	3,4'-Dihexyl-2,2'-bithiophene
Article Data:	17

Formula:	C₂₀H₃₀S₂
Molecular Weight:	334.59
Synonyms:	3-Hexyl-2-(4-hexylthiophen-2-yl)thiophene;
Density:	1.009 g/cm³
Boiling Point:	429.2 °C at 760 mmHg
Flash Point:	160.6 °C
PSA:	56.48000
LogP:	7.72220

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Specification

The 2,2'-Bithiophene, 3,4'-dihexyl-, with the CAS registry number 135926-93-1, is also known as 3,4'-Dihexyl-2,2'-bithiophene. This chemical's molecular formula is C₂₀H₃₀S₂ and molecular weight is 334.58. What's more, its IUPAC name is called 3-Hexyl-2-(4-hexylthiophen-2-yl)thiophene.

Physical properties about 2,2'-Bithiophene, 3,4'-dihexyl- are: (1)ACD/LogP: 9.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.82; (4)ACD/LogD (pH 7.4): 9.82; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5228517; (8)ACD/KOC (pH 7.4): 5228517; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 56.48 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 103.77 cm³; (15)Molar Volume: 331.3 cm³; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.009 g/cm³; (18)Flash Point: 160.6 °C; (19)Enthalpy of Vaporization: 65.8 kJ/mol; (20)Boiling Point: 429.2 °C at 760 mmHg; (21)Vapour Pressure: 3.57E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1cc(cc1c2sccc2CCCCCC)CCCCCC
(2) InChI: InChI=1S/C20H30S2/c1-3-5-7-9-11-17-15-19(22-16-17)20-18(13-14-21-20)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
(3) InChIKey: FWQMKAFKIYUBKB-UHFFFAOYSA-N