Basic Information | Post buying leads | Suppliers |
Name |
Boronic acid,B-[4-(4-thiomorpholinylcarbonyl)phenyl]- |
EINECS | N/A |
CAS No. | 850568-28-4 | Density | 1.33 g/cm3 |
PSA | 86.07000 | LogP | -0.50670 |
Solubility | N/A | Melting Point |
140-142 °C |
Formula | C11H14BNO3S | Boiling Point | 508.7 °C at 760 mmHg |
Molecular Weight | 251.11 | Flash Point | 261.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [4-(4-thiomorpholinylcarbonyl)phenyl]- (9CI);4-(Thiomorpholin-4-ylcarbonyl)benzeneboronic acid;4-(4-Boronobenzoyl)thiomorpholine;(4-Boronophenyl)(thiomorpholin-4-yl)methanone; |
The systematic name of Boronic acid,B-[4-(4-thiomorpholinylcarbonyl)phenyl]- is [4-(thiomorpholine-4-carbonyl)phenyl]boronic acid. With the CAS registry number 850568-28-4, it is also named as (4-Boronophenyl)(thiomorpholin-4-yl)methanone. The product's categories are Blocks; Boronic Acids. In addition, its molecular formula is C11H14BNO3S and its molecular weight is 251.11.
The other characteristics of Boronic acid,B-[4-(4-thiomorpholinylcarbonyl)phenyl]- can be summarized as: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.07; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 86.07 Å2; (9)Index of Refraction: 1.625; (10)Molar Refractivity: 66.4 cm3; (11)Molar Volume: 187.7 cm3; (12)Polarizability: 26.32×10-24cm3; (13)Surface Tension: 61 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 261.5 °C; (16)Melting Point: 140-142 °C; (17)Enthalpy of Vaporization: 82.03 kJ/mol; (18)Boiling Point: 508.7 °C at 760 mmHg; (19)Vapour Pressure: 3.59E-11 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(cc1)C(=O)N2CCSCC2)(O)O
(2)InChI: InChI=1/C11H14BNO3S/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
(3)InChIKey: YMJVTCLBGVZIKM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H14BNO3S/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16/h1-4,15-16H,5-8H2
(5)Std. InChIKey: YMJVTCLBGVZIKM-UHFFFAOYSA-N