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CAS No.: | 38205-55-9 |
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Name: | 4-METHYL-5-ACETYL THIAZOLE |
Molecular Structure: | |
Formula: | C6H7NOS |
Molecular Weight: | 141.194 |
Synonyms: | Ketone,methyl 4-methyl-5-thiazolyl (7CI);5-Acetyl-4-methylthiazole; |
Density: | 1.177 g/cm3 |
Melting Point: | 28-29 °C |
Boiling Point: | 228.6 °C at 760 mmHg |
Flash Point: | 92 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 58.20000 |
LogP: | 1.65410 |
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The Ethanone,1-(4-methyl-5-thiazolyl)-, with the CAS registry number 38205-55-9, is also known as 5-Acetyl-4-methylthiazole. It belongs to the product category of Thiazole Flavor. This chemical's molecular formula is C6H7NOS and molecular weight is 141.19088. What's more, its IUPAC name and systematic name are the same which is called 1-(4-Methylphenyl)-2-(pyridin-4-yl)ethanone.
Physical properties about Ethanone,1-(4-methyl-5-thiazolyl)-: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.08; (6)ACD/BCF (pH 7.4): 1.08; (7)ACD/KOC (pH 5.5): 36.78; (8)ACD/KOC (pH 7.4): 36.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å2; (13) Index of Refraction: 1.539; (14)Molar Refractivity: 37.58 cm3; (15) Molar Volume: 119.9 cm3; (16)Surface Tension: 43.1 dyne/cm; (17)Density: 1.177 g/cm3; (18)Flash Point: 92 °C; (19)Enthalpy of Vaporization: 46.51 kJ/mol; (20)Boiling Point: 228.6 °C at 760 mmHg; (21)Vapour Pressure: 0.073 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1scnc1C)C
(2) InChI: InChI=1/C6H7NOS/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3
(3) InChIKey: MBLHLRLBSIWLMG-UHFFFAOYAZ