Ethanone,1-(4-methyl-5-thiazolyl)- supplier

Name
4-METHYL-5-ACETYL THIAZOLE
EINECS
CAS No. 38205-55-9
Density 1.177 g/cm³
Solubility
Melting Point 28-29 °C
Formula C₆H₇NOS
Boiling Point 228.6 °C at 760 mmHg
Molecular Weight 141.194
Flash Point 92 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Ketone,methyl 4-methyl-5-thiazolyl (7CI);5-Acetyl-4-methylthiazole;
PSA 58.20000
LogP 1.65410

Ethanone,1-(4-methyl-5-thiazolyl)- Specification

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

Product Name

4-METHYL-5-ACETYL THIAZOLE

Ethanone,1-(4-methyl-5-thiazolyl)- Specification

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