5-(Methylthio)pyridin-3-ylthiomethylboronic acid supplier

Name
5-(METHYLTHIO)PYRIDIN-3-YLTHIOMETHYLBORONIC ACID 95
EINECS
CAS No. 913835-66-2
Density 1.33 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms OR3334
PSA 103.95000
LogP 1.32590

5-(Methylthio)pyridin-3-ylthiomethylboronic acid 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

Product Name

5-(METHYLTHIO)PYRIDIN-3-YLTHIOMETHYLBORONIC ACID 95

5-(Methylthio)pyridin-3-ylthiomethylboronic acid Specification

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