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| Name |
Boronic acid,B-[4-[(2-thiazolylamino)carbonyl]phenyl]- |
EINECS | N/A |
| CAS No. | 850568-26-2 | Density | 1.44 g/cm3 |
| PSA | 110.69000 | LogP | 0.14820 |
| Solubility | N/A | Melting Point |
206-210 ºC |
| Formula | C10H9BN2O3S | Boiling Point | N/A |
| Molecular Weight | 248.07 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Boronicacid, [4-[(2-thiazolylamino)carbonyl]phenyl]- (9CI);[4-(Thiazol-2-ylcarbamoyl)phenyl]boronic acid;[4-(2-Thiazolyl)aminocarbonyl]benzeneboronic acid;4-(1,3-Thiazol-2-ylcarbamoyl)benzeneboronic acid; |
Boronic acid,B-[4-[(2-thiazolylamino)carbonyl]phenyl]- Specification
The Boronic acid,B-[4-[(2-thiazolylamino)carbonyl]phenyl]-, with the CAS registry number 850568-26-2, is also known as [4-(2-Thiazolyl)aminocarbonyl]benzeneboronic acid. This chemical's molecular formula is C10H9BN2O3S and molecular weight is 248.07. What's more, its systematic name is [4-(Thiazol-2-ylcarbamoyl)phenyl]boronic acid and it belongs to the product categories of Blocks; Boronic Acids.
Physical properties of Boronic acid,B-[4-[(2-thiazolylamino)carbonyl]phenyl]- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.31; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 110.69 Å2; (9)Index of Refraction: 1.648; (10)Molar Refractivity: 62.33 cm3; (11)Molar Volume: 171.2 cm3; (12)Polarizability: 24.71×10-24 cm3; (13)Surface Tension: 71.3 dyne/cm; (14)Density: 1.44 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)Nc2nccs2)(O)O
(2)InChI: InChI=1/C10H9BN2O3S/c14-9(13-10-12-5-6-17-10)7-1-3-8(4-2-7)11(15)16/h1-6,15-16H,(H,12,13,14)
(3)InChIKey: PXEKEOLNPCSWKZ-UHFFFAOYSA-N
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