CAS No.352526-00-2,3-MERCAPTOPHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	352526-00-2
Name:	3-MERCAPTOPHENYLBORONIC ACID

Formula:	C₆H₇BO₂S
Molecular Weight:	153.997
Synonyms:	(2-Sulfanylphenyl)boronic acid;
Density:	1.271 g/cm³
Melting Point:	196-201 °C(lit.)
Boiling Point:	331.686 °C at 760 mmHg
Flash Point:	154.399 °C
Solubility:	at 25 deg C (mg/L): 668.7
Appearance:	off-white solid
PSA:	79.26000
LogP:	-0.34490

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Specification

The (2-Mercaptophenyl)boronic acid, with the CAS registry number 352526-00-2, is also known as Boronic acid, (2-mercaptophenyl)- (9CI). It belongs to the product categories of API intermediates; Boronic Acid. This chemical's molecular formula is C₆H₇BO₂S and molecular weight is 153.99. What's more, its systematic name is (2-Sulfanylphenyl)boronic acid.

Physical properties of (2-Mercaptophenyl)boronic acid are: (1)ACD/LogP: 1.387; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 5.27; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 106.95; (8)ACD/KOC (pH 7.4): 6.07; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 79.26 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 41.138 cm³; (15)Molar Volume: 121.111 cm³; (16)Polarizability: 16.308×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 154.399 °C; (20)Enthalpy of Vaporization: 60.629 kJ/mol; (21)Boiling Point: 331.686 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccccc1S
(2)Std. InChI: InChI=1S/C6H7BO2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,8-10H
(3)Std. InChIKey: RADLTTWFPYPHIV-UHFFFAOYSA-N