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Basic Information
CAS No.: 913835-66-2
Name: 5-(METHYLTHIO)PYRIDIN-3-YLTHIOMETHYLBORONIC ACID 95
Molecular Structure:
Molecular Structure of 913835-66-2 (5-(METHYLTHIO)PYRIDIN-3-YLTHIOMETHYLBORONIC ACID 95)
Formula: C7H10BNO2S2
Molecular Weight: 215.10
Synonyms: OR3334
Density: 1.33 g/cm3
Melting Point: 142-144ºC
Boiling Point: 412.8 °C at 760 mmHg
Flash Point: 203.5 °C
Hazard Symbols: IrritantXi
PSA: 103.95000
LogP: 1.32590
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Specification

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