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| CAS No.: | 162607-23-0 |
|---|---|
| Name: | 2,5-Dimethylthiophene-3-boronic acid |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C6H9BO2S |
| Molecular Weight: | 156.013 |
| Synonyms: | 2,5-Dimethyl-3-thienylboronic acid;Boronicacid, (2,5-dimethyl-3-thienyl)- (9CI); |
| Density: | 1.2g/cm3 |
| Melting Point: | 180-183 °C |
| Boiling Point: | 311.4 °C at 760 mmHg |
| Flash Point: | 142.2 °C |
| PSA: | 68.70000 |
| LogP: | 0.04470 |
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Specification
The Boronic acid,B-(2,5-dimethyl-3-thienyl)-, with CAS registry number 162607-23-0, has the synonym of 2,5-Dimethylthiophene-3-boronic acid. Its molecular weight is 156.0105. And the chemical formula of this chemical is C6H9BO2S.
Physical properties of Boronic acid,B-(2,5-dimethyl-3-thienyl)-: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.15; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 68.7 Å2; (9)Index of Refraction: 1.542; (10)Molar Refractivity: 40.67 cm3; (11)Molar Volume: 129.1 cm3; (12)Polarizability: 16.12×10-24cm3; (13)Surface Tension: 44.2 dyne/cm; (14)Density: 1.2 g/cm3; (15)Flash Point: 142.2 °C; (16)Enthalpy of Vaporization: 58.32 kJ/mol; (17)Boiling Point: 311.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000241 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(sc1C)C)(O)O
(2)InChI: InChI=1/C6H9BO2S/c1-4-3-6(7(8)9)5(2)10-4/h3,8-9H,1-2H3
(3)InChIKey: RFQHMNWNEOZRLK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H9BO2S/c1-4-3-6(7(8)9)5(2)10-4/h3,8-9H,1-2H3
(5)Std. InChIKey: RFQHMNWNEOZRLK-UHFFFAOYSA-N