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Thiazole-2-boronic acid

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Name

Thiazole-2-boronic acid

EINECS N/A
CAS No. 389630-95-9 Density 1.437 g/cm3
PSA 81.59000 LogP -1.17710
Solubility N/A Melting Point N/A
Formula C3H4BNO2S Boiling Point 320.926 °C at 760 mmHg
Molecular Weight 128.947 Flash Point 147.891 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 389630-95-9 (1,3-THIAZOLE-2-BORONIC ACID) Hazard Symbols N/A
Synonyms

1,3-Thiazol-2-ylboronic acid;Thiazole-2-boronicacid;Boronic acid, B-2-thiazolyl-;

Article Data 4

Thiazole-2-boronic acid 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

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