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CAS No.: | 850589-33-2 |
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Name: | 4-(THIAZOLINE-3-CARBONYL)BENZENEBORONIC ACID |
Molecular Structure: | |
Formula: | C10H12BNO3S |
Molecular Weight: | 237.08 |
Synonyms: | Boronicacid, [4-(3-thiazolidinylcarbonyl)phenyl]- (9CI);4-(Thiazoline-3-carbonyl)phenylboronic acid;4-Boronophenyl(thiazolidin-3-yl)methanone;4-(Thiazoline-3-carbonyl)benzeneboronic acid; |
Density: | 1.38 g/cm3 |
Melting Point: | 146-150 °C |
Boiling Point: | 503.5 °C at 760 mmHg |
Flash Point: | 258.3 °C |
Hazard Symbols: | Xi |
PSA: | 86.07000 |
LogP: | -0.54920 |
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The Boronic acid,B-[4-(3-thiazolidinylcarbonyl)phenyl]-, with the CAS registry number 850589-33-2, is also known as 4-Boronophenyl(thiazolidin-3-yl)methanone. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C10H12BNO3S and molecular weight is 237.08. What's more, its systematic name is [4-(thiazolidine-3-carbonyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[4-(3-thiazolidinylcarbonyl)phenyl]- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 86.07 Å2; (6)Index of Refraction: 1.64; (7)Molar Refractivity: 61.77 cm3; (8)Molar Volume: 171.4 cm3; (9)Polarizability: 24.49×10-24cm3; (10)Surface Tension: 63.8 dyne/cm; (11)Density: 1.38 g/cm3; (12)Flash Point: 258.3 °C; (13)Enthalpy of Vaporization: 81.37 kJ/mol; (14)Boiling Point: 503.5 °C at 760 mmHg; (15)Vapour Pressure: 5.87E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C(=O)N2CCSC2)(O)O
(2)InChI: InChI=1S/C10H12BNO3S/c13-10(12-5-6-16-7-12)8-1-3-9(4-2-8)11(14)15/h1-4,14-15H,5-7H2
(3)InChIKey: RMOBLFQUVHBXKX-UHFFFAOYSA-N