CAS No.54390-97-5,5-Bromoisothiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54390-97-5
Name:	5-Bromoisothiazole

Formula:	C₃H₂BrNS
Molecular Weight:	164.026
Synonyms:	5-Bromoisothiazole;
Density:	1.857 g/cm³
Boiling Point:	85.581 °C at 760 mmHg
Flash Point:	5.56 °C
PSA:	41.13000
LogP:	1.90560

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Specification

The Isothiazole, 5-bromo-, with the CAS registry number 54390-97-5, is also known as 5-Bromoisothiazole. This chemical's molecular formula is C₃H₂BrNS and molecular weight is 164.0237. Its systematic name is called 5-bromo-1,2-thiazole.

Physical properties of Isothiazole, 5-bromo-: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 172; (8)ACD/KOC (pH 7.4): 173; (9)#H bond acceptors: 1; (10)Index of Refraction: 1.605; (11)Molar Refractivity: 30.419 cm³; (12)Molar Volume: 88.321 cm³; (13)Surface Tension: 50.186 dyne/cm; (14)Density: 1.857 g/cm³; (15)Flash Point: 5.56 °C; (16)Enthalpy of Vaporization: 31.24 kJ/mol; (17)Boiling Point: 85.581 °C at 760 mmHg; (18)Vapour Pressure: 77.191 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccns1
(2)InChI: InChI=1/C3H2BrNS/c4-3-1-2-5-6-3/h1-2H
(3)InChIKey: XNONRNKAYRHZDJ-UHFFFAOYAZ