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41731-33-3

Basic Information
CAS No.: 41731-33-3
Name: 2-bromothiazol-4-amine
Molecular Structure:
Molecular Structure of 41731-33-3 (2-bromothiazol-4-amine)
Formula: C3H3BrN2S
Molecular Weight: 179.04
Synonyms: 4-Amino-2-bromothiazole;
Density: 1.976 g/cm3
Boiling Point: 278.5 °C at 760 mmHg
Flash Point: 122.2 °C
PSA: 67.15000
LogP: 2.06900
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  • 41731-33-3 CAS No.41731-33-3

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Specification

The 4-Thiazolamine,2-bromo- is an organic compound with the formula C3H3BrN2S. The systematic name of this chemical is 2-bromo-1,3-thiazol-4-amine. With the CAS registry number 41731-33-3, it is also named as 4-Amino-2-bromothiazole.

Physical properties about 4-Thiazolamine,2-bromo- are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 0.64; (3)ACD/LogD (pH 7.4): 0.65; (4)ACD/BCF (pH 5.5): 1.78; (5)ACD/BCF (pH 7.4): 1.82; (6)ACD/KOC (pH 5.5): 52.31; (7)ACD/KOC (pH 7.4): 53.47; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 67.15 Å2; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 34.65 cm3; (14)Molar Volume: 90.6 cm3; (15)Polarizability: 13.73×10-24cm3; (16)Surface Tension: 68.7 dyne/cm; (17)Density: 1.976 g/cm3; (18)Flash Point: 122.2 °C; (19)Enthalpy of Vaporization: 51.72 kJ/mol; (20)Boiling Point: 278.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00424 mmHg at 25°C.

Uses of 4-Thiazolamine,2-bromo-: it can be used to produce N-(2-bromo-thiazol-4-yl)-2,2,2-trifluoro-acetamide at ambient temperature. It will need reagent Py and solvent CH2Cl2 with reaction time of 1 hour.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1csc(Br)n1
(2)InChI: InChI=1/C3H3BrN2S/c4-3-6-2(5)1-7-3/h1H,5H2
(3)InChIKey: CFVNVCUJPRPMCN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C3H3BrN2S/c4-3-6-2(5)1-7-3/h1H,5H2
(5)Std. InChIKey: CFVNVCUJPRPMCN-UHFFFAOYSA-N