CAS No.389630-95-9,1,3-THIAZOLE-2-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	389630-95-9
Name:	1,3-THIAZOLE-2-BORONIC ACID
Article Data:	4

Formula:	C₃H₄BNO₂S
Molecular Weight:	128.947
Synonyms:	1,3-Thiazol-2-ylboronic acid;Thiazole-2-boronicacid;Boronic acid, B-2-thiazolyl-;
Density:	1.437 g/cm³
Boiling Point:	320.926 °C at 760 mmHg
Flash Point:	147.891 °C
PSA:	81.59000
LogP:	-1.17710

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Specification

The Thiazole-2-boronic acid, with the CAS registry number 389630-95-9, is also known as Boronic acid, B-2-thiazolyl-. This chemical's molecular formula is C₃H₄BNO₂S and molecular weight is 128.95. What's more, its systematic name is 1,3-thiazol-2-ylboronic acid.

Physical properties of Thiazole-2-boronic acid are: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.59 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 29.228 cm³; (15)Molar Volume: 89.766 cm³; (16)Surface Tension: 62.237 dyne/cm; (17)Density: 1.437 g/cm³; (18)Flash Point: 147.891 °C; (19)Enthalpy of Vaporization: 59.398 kJ/mol; (20)Boiling Point: 320.926 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1nccs1
(2)InChI: InChI=1S/C3H4BNO2S/c6-4(7)3-5-1-2-8-3/h1-2,6-7H
(3)InChIKey: JWUGKJKBCKJFOU-UHFFFAOYSA-N