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16243-71-3

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Basic Information
CAS No.: 16243-71-3
Name: 2-Methyl-5-nitrothiazole
Article Data: 5
Molecular Structure:
Molecular Structure of 16243-71-3 (2-Methyl-5-nitrothiazole)
Formula: C4H4N2O2S
Molecular Weight: 144.154
Synonyms: 2-Methyl-5-nitrothiazole;2-Methyl-5-nitro-1,3-thiazole;
Density: 1.437 g/cm3
Melting Point: 131-133 °C
Boiling Point: 242.9 °C at 760 mmHg
Flash Point: 100.7 °C
Appearance: Pale yellow clear liquid
PSA: 86.95000
LogP: 1.88290
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Specification

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