3-Bromoisothiazolo[3,4-b]pyridine supplier

Name
3-Bromoisothiazolo[3,4-b]pyridine
EINECS
CAS No. 42242-08-0
Density 1.859 g/cm³
Solubility
Melting Point
Formula C₆H₃BrN₂S
Boiling Point 300.9 °C at 760 mmHg
Molecular Weight 215.0704
Flash Point 135.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isothiazolo[3, 4-b]pyridine, 3-bromo-;
PSA 54.02000
LogP 2.45380

3-Bromoisothiazolo[3,4-b]pyridine Specification

The 3-Bromoisothiazolo[3, 4-b]pyridine, with the CAS registry number 42242-08-0, is also known as Isothiazolo[3, 4-b]pyridine, 3-bromo-. This chemical's molecular formula is C₆H₃BrN₂S and molecular weight is 215.0704. What's more, its IUPAC name is 3-Bromo-[1, 2]thiazolo[3, 4-b]pyridine.

Physical properties about 3-Bromoisothiazolo[3, 4-b]pyridine are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.17; (6)ACD/BCF (pH 7.4): 17.17; (7)ACD/KOC (pH 5.5): 266.37; (8)ACD/KOC (pH 7.4): 266.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å²; (13)Index of Refraction: 1.733; (14)Molar Refractivity: 46.35 cm³; (15)Molar Volume: 115.6 cm³; (16)Polarizability: 18.37×10^-24 cm³; (17)Surface Tension: 68.7 dyne/cm; (18)Density: 1.859 g/cm³; (19)Flash Point: 135.8 °C; (20)Enthalpy of Vaporization: 51.93 kJ/mol; (21)Boiling Point: 300.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00195 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1snc2ncccc12
(2) InChI: InChI=1/C6H3BrN2S/c7-5-4-2-1-3-8-6(4)9-10-5/h1-3H
(3) InChIKey: PRXQXZJDIYHKFE-UHFFFAOYAG

Product Name

3-Bromoisothiazolo[3,4-b]pyridine

3-Bromoisothiazolo[3,4-b]pyridine Specification

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