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CAS No.: | 7336-54-1 |
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Name: | 2-ACETAMIDO-5-BROMOTHIAZOLE |
Molecular Structure: | |
Formula: | C5H5BrN2OS |
Molecular Weight: | 221.077 |
Synonyms: | 2-Acetamido-5-bromothiazole; |
Density: | 1.82 g/cm3 |
Hazard Symbols: | Xi |
PSA: | 70.23000 |
LogP: | 1.93700 |
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The 2-Acetamido-5-bromo-1,3-thiazole, with the CAS registry number of 7336-54-1, is also known as 2-Acetamido-5-bromothiazole. It belongs to the product category of Sulphur Derivatives. This chemical's molecular formula is C5H5BrN2OS and molecular weight is 221.07. What's more, its IUPAC name is N-(5-Bromo-1,3-thiazol-2-yl)acetamide.
Physical properties about the 2-Acetamido-5-bromo-1,3-thiazole are: (1)ACD/LogP: 1.53 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.59; (6)ACD/BCF (pH 7.4): 8.4; (7)ACD/KOC (pH 5.5): 162.23; (8)ACD/KOC (pH 7.4): 158.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 61.44Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 44.69 cm3; (15)Molar Volume: 121.4 cm3; (16)Surface Tension: 60.6 dyne/cm; (17)Density: 1.82 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES:Brc1sc(nc1)NC(=O)C
(2) InChI:InChI=1/C5H5BrN2OS/c1-3(9)8-5-7-2-4(6)10-5/h2H,1H3,(H,7,8,9)
(3) InChIKey:LHWHLINDRWCHSN-UHFFFAOYAM