Boronic acid,B-[3-[(2-thiazolylamino)carbonyl]phenyl]- supplier

Name
3-(2-THIAZOLYL)AMINOCARBONYLPHENYLBORONIC ACID
EINECS
CAS No. 850567-34-9
Density 1.44 g/cm³
Solubility
Melting Point 218-222 ºC
Formula C₁₀H₉BN₂O₃S
Boiling Point
Molecular Weight 248.07
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-[(2-thiazolylamino)carbonyl]phenyl]- (9CI);[3-(Thiazol-2-ylcarbamoyl)phenyl]boronic acid;3-(2-Thiazolyl)aminocarbonylphenylboronic acid;
PSA 110.69000
LogP 0.14820

Boronic acid,B-[3-[(2-thiazolylamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[3-[(2-thiazolylamino)carbonyl]phenyl]-, with the CAS registry number 850567-34-9, is also known as 3-(2-Thiazolyl)aminocarbonylphenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₀H₉BN₂O₃S and molecular weight is 248.07. What's more, its systematic name is [3-(thiazol-2-ylcarbamoyl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[3-[(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): 1.26; (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^-24cm³; (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(c1cccc(c1)C(=O)Nc2nccs2)(O)O
(2)InChI: InChI=1S/C10H9BN2O3S/c14-9(13-10-12-4-5-17-10)7-2-1-3-8(6-7)11(15)16/h1-6,15-16H,(H,12,13,14)
(3)InChIKey: ORXREXRVDUFDBS-UHFFFAOYSA-N

Product Name

3-(2-THIAZOLYL)AMINOCARBONYLPHENYLBORONIC ACID

Boronic acid,B-[3-[(2-thiazolylamino)carbonyl]phenyl]- Specification

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