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352530-20-2

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Basic Information
CAS No.: 352530-20-2
Name: 3-t-BDMSthiophenylboronic acid
Molecular Structure:
Molecular Structure of 352530-20-2 (3-t-BDMSthiophenylboronic acid)
Formula: C12H21BO2SSi
Molecular Weight: 268.26
Synonyms: [3-[Tert-butyl(dimethyl)silyl]sulfanylphenyl]boronic acid;
Density: 1.051 g/cm3
Boiling Point: 379.865 °C at 760 mmHg
Flash Point: 183.536 °C
PSA: 65.76000
LogP: 2.46370
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Specification

The CAS registry number of 3-t-BDMSthiophenylboronic acid is 352530-20-2, is also known as Quinoline,3-(aminomethyl)-5,6,7,8-tetrahydro- (6CI). It belongs to the product category of Boronic Acid. This chemical's molecular formula is C12H21BO2SSi and molecular weight is 268.26. What's more, its systematic name is [3-[Tert-butyl(dimethyl)silyl]sulfanylphenyl]boronic acid.

Physical properties about 3-t-BDMSthiophenylboronic acid: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.636; (4)ACD/LogD (pH 7.4): 3.545; (5)ACD/BCF (pH 5.5): 341.216; (6)ACD/BCF (pH 7.4): 276.536; (7)ACD/KOC (pH 5.5): 2261.406; (8)ACD/KOC (pH 7.4): 1832.739; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.76 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 77.842 cm3; (15)Molar Volume: 255.32 cm3; (16)Surface Tension: 34.567 dyne/cm; (17)Density: 1.051 g/cm3; (18)Flash Point: 183.536 °C; (19)Enthalpy of Vaporization: 66.239 kJ/mol; (20)Boiling Point: 379.865 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc(c1)S[Si](C)(C)C(C)(C)C)(O)O
(2) InChI: InChI=1/C12H21BO2SSi/c1-12(2,3)17(4,5)16-11-8-6-7-10(9-11)13(14)15/h6-9,14-15H,1-5H3
(3) InChIKey: HNLLVCZYAKWWFN-UHFFFAOYAB