CAS No.119269-24-8,3-HEXADECYLTHIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	119269-24-8
Name:	3-HEXADECYLTHIOPHENE
Article Data:	7

Formula:	C₂₀H₃₆S
Molecular Weight:	308.572
Synonyms:	3-Hexadecylthiophene;
Density:	0.9 g/cm³
Melting Point:	27-29 °C
Boiling Point:	394.2 °C at 760 mmHg
Flash Point:	144 °C
PSA:	28.24000
LogP:	7.77190

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Specification

The Thiophene, 3-hexadecyl-, with the CAS registry number of 119269-24-8, is also known as 3-n-Hexadecylthiophene. This chemical's molecular formula is C₂₀H₃₆S and molecular weight is 308.56484. What's more, its systematic name is called 3-Hexadecylthiophene.

Physical properties about Thiophene, 3-hexadecyl- are: (1)ACD/LogP: 10.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.33; (4)ACD/LogD (pH 7.4): 10.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9878367; (8)ACD/KOC (pH 7.4): 9878367; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 99.04 cm³; (15)Molar Volume: 342.8 cm³; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 0.9 g/cm³; (18)Flash Point: 144 °C; (19)Enthalpy of Vaporization: 61.9 kJ/mol; (20)Boiling Point: 394.2 °C at 760 mmHg; (21)Vapour Pressure: 4.57E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s1ccc(c1)CCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-19H,2-16H2,1H3
(3) InChIKey: FRVZSODZVJPMKO-UHFFFAOYAE