CAS No.155954-63-5,4-Bromo-2-hexylthiophene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	155954-63-5
Name:	4-Bromo-2-hexylthiophene
Article Data:	11

Formula:	C₁₀H₁₅BrS
Molecular Weight:	247.199
Synonyms:	4-Bromo-2-hexylthiophene;
Density:	1.274 g/cm³
Boiling Point:	276.1 °C at 760 mmHg
Flash Point:	120.8 °C
Appearance:	Colorless liquid
PSA:	28.24000
LogP:	4.63340

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Specification

The IUPAC name of 4-Bromo-2-hexylthiophene is 4-Bromo-2-hexylthiophene. With the CAS registry number 155954-63-5, it is also named as Thiophene,4-bromo-2-hexyl-. The product is colorless liquid. In addition, its molecular formula is C₁₀H₁₅BrS and its molecular weight is 247.2.

The other characteristics of 4-Bromo-2-hexylthiophene can be summarized as: (1)ACD/LogP: 5.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.74; (4)ACD/LogD (pH 7.4): 5.74; (5)ACD/BCF (pH 5.5): 13489.63; (6)ACD/BCF (pH 7.4): 13489.63; (7)ACD/KOC (pH 5.5): 31466.06; (8)ACD/KOC (pH 7.4): 31466.06; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 5; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 60.4 cm³; (15)Molar Volume: 193.9 cm³; (16)Polarizability: 23.94×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 120.8 °C; (20)Enthalpy of Vaporization: 49.39 kJ/mol; (21)Boiling Point: 276.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00822 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCCCC1=CC(=CS1)Br
(2)InChI: InChI=1S/C10H15BrS/c1-2-3-4-5-6-10-7-9(11)8-12-10/h7-8H,2-6H2,1H3
(3)InChIKey: KBZSJFOSBGKXIY-UHFFFAOYSA-N