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CAS No.: | 3034-57-9 |
---|---|
Name: | 2-Amino-5-bromo-4-methylthiazole |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C4H5BrN2S |
Molecular Weight: | 193.067 |
Synonyms: | Thiazole,2-amino-5-bromo-4-methyl- (6CI,7CI,8CI);(5-Bromo-4-methylthiazol-2-yl)amine;2-Amino-4-methyl-5-bromothiazole; |
Density: | 1.806 g/cm3 |
Melting Point: | 105-108.5 °C (decomp) |
Boiling Point: | 298.273 °C at 760 mmHg |
Flash Point: | 134.191 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 67.15000 |
LogP: | 2.37740 |
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The 2-Amino-5-bromo-4-methylthiazole, with the CAS registry number 3034-57-9, is also known as 2-Thiazolamine, 5-bromo-4-methyl-. It belongs to the product categories of API intermediates; Building Blocks; Thiazole. This chemical's molecular formula is C4H5BrN2S and molecular weight is 191.94. Its IUPAC name is called 5-bromo-4-methyl-1,3-thiazol-2-amine. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Amino-5-bromo-4-methylthiazole: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.675; (5)ACD/BCF (pH 5.5): 57.234; (6)ACD/BCF (pH 7.4): 63.482; (7)ACD/KOC (pH 5.5): 612.042; (8)ACD/KOC (pH 7.4): 678.857; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 39.48 cm3; (14)Molar Volume: 106.877 cm3; (15)Surface Tension: 60.892 dyne/cm; (16)Density: 1.806 g/cm3; (17)Flash Point: 134.191 °C; (18)Enthalpy of Vaporization: 53.818 kJ/mol; (19)Boiling Point: 298.273 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC(=N1)N)Br
(2)InChI: InChI=1S/C4H5BrN2S/c1-2-3(5)8-4(6)7-2/h1H3,(H2,6,7)
(3)InChIKey: XZYIDZIGJVUTKE-UHFFFAOYSA-N