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CAS No.: | 495382-48-4 |
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Name: | 5-tert-Butylthiophene-2-boronic acid |
Molecular Structure: | |
Formula: | C8H13BO2S |
Molecular Weight: | 184.0636 |
Synonyms: | 5-TERT-BUTYLTHIOPHENE-2-BORONIC ACID;(5-tert-butylthiophen-2-yl)boronic acid |
Density: | 1.129 g/cm3 |
Boiling Point: | 312.2 °C at 760 mmHg |
Flash Point: | 142.614 °C |
PSA: | 68.70000 |
LogP: | 0.72540 |
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The CAS registry number of 5-tert-Butylthiophene-2-boronic acid is 495382-48-4. The molecular formula of it is C8H13BO2S and molecular weight is 184.0636. Its systematic name is called (5-tert-butyl-2-thienyl)boronic acid.
Physical properties about this chemical are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.617; (4)ACD/LogD (pH 7.4): 2.595; (5)ACD/BCF (pH 5.5): 57.43; (6)ACD/BCF (pH 7.4): 54.6; (7)ACD/KOC (pH 5.5): 632.008; (8)ACD/KOC (pH 7.4): 600.866; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 49.952 cm3; (14)Molar Volume: 163.008 cm3; (15)Surface Tension: 40.55 dyne/cm; (16)Density: 1.129 g/cm3; (17)Flash Point: 142.614 °C; (18)Enthalpy of Vaporization: 58.406 kJ/mol; (19)Boiling Point: 312.2 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(s1)C(C)(C)C)(O)O
(2)InChI: InChI=1/C8H13BO2S/c1-8(2,3)6-4-5-7(12-6)9(10)11/h4-5,10-11H,1-3H3
(3)InChIKey: QIZSEUWAQZNLDY-UHFFFAOYAE