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362612-68-8

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Basic Information
CAS No.: 362612-68-8
Name: 4-Phenylthiophene-2-boronic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 362612-68-8 (4-Phenylthiophene-2-boronic acid)
Formula: C10H9BO2S
Molecular Weight: 204.057
Synonyms: 4-PHENYLTHIOPHENE-2-BORONIC ACID
Density: 1.298 g/cm3
Boiling Point: 383.427 °C at 760 mmHg
Flash Point: 185.69 °C
PSA: 68.70000
LogP: 1.09490
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Specification

The 4-Phenylthiophene-2-boronic acid, with the CAS registry number 362612-68-8, has the systematic name (4-phenyl-2-thienyl)boronic acid. Its molecular formula is C10H9BO2S and its molecular weight is 204.05. 

Other characteristics of the 4-Phenylthiophene-2-boronic acid can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.629; (4)ACD/LogD (pH 7.4): 2.564; (5)ACD/BCF (pH 5.5): 58.604; (6)ACD/BCF (pH 7.4): 50.47; (7)ACD/KOC (pH 5.5): 640.977; (8)ACD/KOC (pH 7.4): 552.009; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.7 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 56.136 cm3; (15)Molar Volume: 157.261 cm3; (16)Polarizability: 22.254×10-24cm3; (17)Surface Tension: 55.19 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 185.69 °C; (20)Enthalpy of Vaporization: 66.66 kJ/mol; (21)Boiling Point: 383.427 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: B(c1cc(cs1)c2ccccc2)(O)O
2.InChI: InChI=1/C10H9BO2S/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7,12-13H
3.InChIKey: SSHJHAPMTBLTLN-UHFFFAOYAR