Basic Information | Post buying leads | Suppliers |
Name |
5-(Methylthio)pyridin-3-ylthiomethylboronic acid |
EINECS | N/A |
CAS No. | 913835-66-2 | Density | 1.33 g/cm3 |
PSA | 103.95000 | LogP | 1.32590 |
Solubility | N/A | Melting Point |
142-144ºC |
Formula | C7H10BNO2S2 | Boiling Point | 412.8 °C at 760 mmHg |
Molecular Weight | 215.10 | Flash Point | 203.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
OR3334 |
This chemical is called (5-Methylsulfanyl-3-pyridyl)sulfanylmethylboronic acid, and its CAS registry number is 215.10. With the molecular formula of C7H10BNO2S2, its molecular weight is 215.10. Additionally, its product categories are Blocks; Boronic Acids; Pyridines.
Other characteristics of the (5-Methylsulfanyl-3-pyridyl)sulfanylmethylboronic acid can be summarised as followings: (1)ACD/LogP: 2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.22; (4)ACD/LogD (pH 7.4): 2.2; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 103.95 Å2; (9)Index of Refraction: 1.618; (10)Molar Refractivity: 56.37 cm3; (11)Molar Volume: 160.7 cm3; (12)Polarizability: 22.34×10-24cm3; (13)Surface Tension: 61.6 dyne/cm; (14)Density: 1.33 g/cm3; (15)Flash Point: 203.5 °C; (16)Enthalpy of Vaporization: 70.17 kJ/mol; (17)Boiling Point: 412.8 °C at 760 mmHg; (18)Vapour Pressure: 1.49E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B(CSc1cc(cnc1)SC)(O)O
2.InChI: InChI=1/C7H10BNO2S2/c1-12-6-2-7(4-9-3-6)13-5-8(10)11/h2-4,10-11H,5H2,1H3
3.InChIKey:GHHBNWZAAQZNMU-UHFFFAOYAU