2,5-DIBROMO-3-BUTYLTHIOPHENE

The Thiophene,2,5-dibromo-3-butyl-, with its CAS registry number 116971-10-9, has the IUPAC name of 2,5-dibromo-3-butylthiophene. With its molecular foumula of C₈H₁₀Br₂S, it has the formula weight of 298.04. This chemical belongs to the product categories which include Organic Electronics and Photonics; Synthetic Tools and Reagents; Thiophene Monomers and Building Blocks. When store it, you should keep it sealed at 2-8 °C in the dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Thiophene,2,5-dibromo-3-butyl- are as follows: (1)ACD/LogP: 5.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.61; (4)ACD/LogD (pH 7.4): 5.61; (5)ACD/BCF (pH 5.5): 10751.92; (6)ACD/BCF (pH 7.4): 10751.92; (7)ACD/KOC (pH 5.5): 26750.21; (8)ACD/KOC (pH 7.4): 26750.21; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.24 Ų; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 58.83 cm³; (15)Molar Volume: 177.1 cm³; (16)Polarizability: 23.32×10^-24cm³; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.682 g/cm³; (19)Flash Point: 126 °C; (20)Enthalpy of Vaporization: 50.27 kJ/mol; (21)Boiling Point: 284.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00504 mmHg at 25°C; (23)Exact Mass: 297.88495; (24)MonoIsotopic Mass: 295.886996; (25)Topological Polar Surface Area: 28.2; (26)Heavy Atom Count: 11; (27)Complexity: 119; (28)Covalently-Bonded Unit Count: 1.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Brc1sc(Br)cc1CCCC
(2)InChI:InChI=1/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
(3)InChIKey:YRSQCQUZWSQKKU-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C8H10Br2S/c1-2-3-4-6-5-7(9)11-8(6)10/h5H,2-4H2,1H3
(5)Std. InChIKey:YRSQCQUZWSQKKU-UHFFFAOYSA-N