CAS No.65016-55-9,3-Decylthiophene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	65016-55-9
Name:	3-Decylthiophene
Article Data:	1

Formula:	C₁₄H₂₄S
Molecular Weight:	224.411
Synonyms:	3-Decylthiophene;3-n-Decylthiophene;
Density:	0.92 g/cm³
Melting Point:	-10.15°C (estimate)
Boiling Point:	299.4 °C at 760 mmHg
Flash Point:	99.1 °C
Safety:	24/25
PSA:	29.10000
LogP:	3.84910

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Specification

The IUPAC name of 3-Decylthiophene is 3-decylthiophene. With the CAS registry number 65016-55-9, it is also named as Thiophene, 3-decyl-. The product's categories are Thiophenes; Electronic Chemicals; 3-Alkylthiophenes (for Conduting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research; Organic Electronics and Photonics; Synthetic Tools and Reagents; Thiophene Monomers and Building Blocks. Besides, it is colorless transparent liquid, which should be stored in sealed containers in a cool, dry place at 2-8 °C away from oxidizing agents. In addition, its molecular formula is C₁₄H₂₄S and molecular weight is 224.40.

The other characteristics of 3-Decylthiophene can be summarized as: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.14; (4)ACD/LogD (pH 7.4): 7.14; (5)ACD/BCF (pH 5.5): 156776.34; (6)ACD/BCF (pH 7.4): 156776.34; (7)ACD/KOC (pH 5.5): 182120.48; (8)ACD/KOC (pH 7.4): 182120.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 71.24 cm³; (15)Molar Volume: 243.7 cm³; (16)Polarizability: 28.24×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 0.92 g/cm³; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 51.78 kJ/mol; (21)Boiling Point: 299.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00213 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: s1ccc(c1)CCCCCCCCCC
(2)InChI: InChI=1/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
(3)InChIKey: JAYBIBLZTQMCAY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H24S/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13-14/h11-13H,2-10H2,1H3
(5)Std. InChIKey: JAYBIBLZTQMCAY-UHFFFAOYSA-N