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Basic Information
CAS No.: 26213-72-9
Name: 4-Methyl-5-nitrothiazole
Article Data: 6
Molecular Structure:
Molecular Structure of 26213-72-9 (4-Methyl-5-nitrothiazole)
Formula: C4H4N2O2S
Molecular Weight: 144.154
Synonyms: 4-Methyl-5-nitrothiazole;
Density: 1.438 g/cm3
Boiling Point: 243.008 °C at 760 mmHg
Flash Point: 100.768 °C
PSA: 86.95000
LogP: 1.88290
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Specification

The Thiazole,4-methyl-5-nitro-, with the CAS registry number 26213-72-9, is also known as 4-Methyl-5-nitrothiazole. It belongs to the product category of Thiazoles. This chemical's molecular formula is C4H4N2O2S and molecular weight is 144.1518. What's more, its systematic name is called 4-Methyl-5-nitro-thiazole.

Physical properties about Thiazole,4-methyl-5-nitro- are: (1)ACD/LogP: 1.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.632; (6)ACD/BCF (pH 7.4): 3.632; (7)ACD/KOC (pH 5.5): 87.606; (8)ACD/KOC (pH 7.4): 87.607; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 86.95Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 34.099 cm3; (15)Molar Volume: 100.253 cm3; (16)Surface Tension: 58.88 dyne/cm; (17)Density: 1.438 g/cm3; (18)Flash Point: 100.768 °C; (19)Enthalpy of Vaporization: 46.056 kJ/mol; (20)Boiling Point: 243.008 °C at 760 mmHg; (21)Vapour Pressure: 0.051 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(scn1)[N+](=O)[O-]
(2) InChI: InChI=1/C4H4N2O2S/c1-3-4(6(7)8)9-2-5-3/h2H,1H3
(3) InChIKey: LYZYIZXNSIVYRM-UHFFFAOYAM