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| CAS No.: | 19622-55-0 |
|---|---|
| Name: | 5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine |
| Article Data: | 34 |
| Molecular Structure: | |
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| Formula: | C6H6N6O2S |
| Molecular Weight: | 226.219 |
| Synonyms: | 1,3,4-Thiadiazol-2-amine, 5-(1-methyl-5-nitro-1H-imidazol-2-yl)-;1,3,4-Thiadiazole, 2-amino-5-(1-methyl-5-nitroimidazol-2-yl)-;1,3,4-Thiadiazol-2-amine, 5-(1-methyl-5-nitro-1H-imidazol-2-yl)- (9CI);1,3,4-Thiadiazol-2-amine, 5- (1-methyl-5-nitro-1H-imidazol-2-yl)-;1,3,4-Thiadiazol-2-amine,5-(1-methyl-5- nitro-1H-imidazol-2-yl)-;1,3,4-THIADIAZOLE,2-AMINO-5-(1-METHYL-5-NITRO-2-IMIDAZOLYL);2-Amino-5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazole;Nitroimidazole thiadiazole;5-(1-methyl-5-nitro-imidazol-2-yl)-1,3,4-thiadiazol-2-amine;2-Amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole;1,3,4-Thiadiazole, 2-amino-5- (1-methyl-5-nitroimidazol-2-yl)-;CL 64855; |
| Density: | 2 g/cm3 |
| Boiling Point: | 532.6 °C at 760 mmHg |
| Flash Point: | 275.9 °C |
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Specification
The Megazol, with the CAS registry number 19622-55-0, is also known as 2-Amino-5-(1-methyl-5-nitro-2-imidazolyl)-1,3,4-thiadiazole. It belongs to the product categories of Pyridine. This chemical's molecular formula is C6H6N6O2S. What's more, its systematic name is 5-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,3,4-thiadiazol-2-amine. Its classification codes are: (1)Drug/Therapeutic Agent; (2)Mutation data.
Physical properties of Megazol are: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.28; (8)ACD/KOC (pH 7.4): 31.28; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 120.9 Å2; (13)Index of Refraction: 1.921; (14)Molar Refractivity: 53.41 cm3; (15)Molar Volume: 112.9 cm3; (16)Polarizability: 21.17×10-24 cm3; (17)Surface Tension: 108.5 dyne/cm; (18)Density: 2 g/cm3; (19)Flash Point: 275.9 °C; (20)Enthalpy of Vaporization: 80.84 kJ/mol; (21)Boiling Point: 532.6 °C at 760 mmHg; (22)Vapour Pressure: 2.01E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=CC=C1CC(=O)O)C(=O)O;
(2)InChI: InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13);
(3)InChIKey: DMEDOWYXHVUPMO-UHFFFAOYSA-N