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