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Name |
Thiazole,2-methyl-5-nitro- |
EINECS | N/A |
CAS No. | 16243-71-3 | Density | 1.437 g/cm3 |
PSA | 86.95000 | LogP | 1.88290 |
Solubility | N/A | Melting Point |
131-133 °C |
Formula | C4H4N2O2S | Boiling Point | 242.9 °C at 760 mmHg |
Molecular Weight | 144.154 | Flash Point | 100.7 °C |
Transport Information | N/A | Appearance | Pale yellow clear liquid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-5-nitrothiazole;2-Methyl-5-nitro-1,3-thiazole; |
Article Data | 5 |
The Thiazole,2-methyl-5-nitro-, with the CAS registry number 16243-71-3, is also known 2-Methyl-5-nitrothiazole. It belongs to the product category of Thiazoles. This chemical's molecular formula is C4H4N2O2S and molecular weight is 144.15. What's more, its systematic name is 2-Methyl-5-nitro-1,3-thiazole.
Physical properties of Thiazole,2-methyl-5-nitro- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 2.52; (7)ACD/KOC (pH 5.5): 67.52; (8)ACD/KOC (pH 7.4): 67.52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.95 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 34.09 cm3; (15)Molar Volume: 100.2 cm3; (16)Polarizability: 13.51×10-24 cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 100.7 °C; (20)Enthalpy of Vaporization: 46.05 kJ/mol; (21)Boiling Point: 242.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0515 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1sc(nc1)C
(2)InChI: InChI=1/C4H4N2O2S/c1-3-5-2-4(9-3)6(7)8/h2H,1H3
(3)InChIKey: YIFARGVNPMLZTQ-UHFFFAOYAL