CAS No.104934-54-5,3-N-OCTADECYLTHIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104934-54-5
Name:	3-N-OCTADECYLTHIOPHENE
Article Data:	5

Formula:	C₂₂H₄₀S
Molecular Weight:	336.626
Synonyms:	3-Octadecylthiophene;
Density:	0.895 g/cm³
Melting Point:	36 °C
Boiling Point:	422.8 °C at 760 mmHg
Flash Point:	157.6 °C
Hazard Symbols:	C,Xi
Risk Codes:	R20/21/22; R32; R34
PSA:	28.24000
LogP:	8.55210

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Specification

The Thiophene, 3-octadecyl-, with CAS registry number 104934-54-5, belongs to the following product categories: (1)3-Alkylthiophenes (for Conduting Polymer Research); (2)Functional Materials; (3)Reagents for Conducting Polymer Research. It has the systematic name of 3-octadecylthiophene. And the chemical formula of this chemical is C₂₂H₄₀S.

Physical properties of Thiophene, 3-octadecyl-: (1)ACD/LogP: 11.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.39; (4)ACD/LogD (pH 7.4): 11.39; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 108.31 cm³; (15)Molar Volume: 375.8 cm³; (16)Polarizability: 42.93×10^-24cm³; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.895 g/cm³; (19)Flash Point: 157.6 °C; (20)Enthalpy of Vaporization: 65.08 kJ/mol; (21)Boiling Point: 422.8 °C at 760 mmHg; (22)Vapour Pressure: 5.79E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s1ccc(c1)CCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C22H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21H,2-18H2,1H3
(3)InChIKey: ARFJPHXJBIEWSZ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C22H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-20-23-21-22/h19-21H,2-18H2,1H3
(5)Std. InChIKey: ARFJPHXJBIEWSZ-UHFFFAOYSA-N