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Name |
Ethanone,1-(5-thiazolyl)- |
EINECS | N/A |
CAS No. | 91516-28-8 | Density | 1.226 g/cm3 |
PSA | 58.20000 | LogP | 1.34570 |
Solubility | N/A | Melting Point |
64.5-65.5 °C |
Formula | C5H5NOS | Boiling Point | 220.4 °C at 760 mmHg |
Molecular Weight | 127.167 | Flash Point | 87.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(Thiazol-5-yl)ethanone;Ketone,methyl 5-thiazolyl (6CI); |
Article Data | 6 |
The Ethanone,1-(5-thiazolyl)-, with its CAS registry number 91516-28-8, is also known as 1-(5-Thiazolyl)ethanone. With its molecular formula of C5H5NOS and molecular weight of 127.1643, it has its IUPAC name of 1-(1,3-thiazol-5-yl)ethanone. And it belongs to the product category of Acetyl Group.
Physical properties of Ethanone,1-(5-thiazolyl)-: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 15.201; (5)ACD/KOC (pH 7.4): 15.202; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 58.2 Å2; (10)Index of Refraction: 1.545; (11)Molar Refractivity: 32.756 cm3; (12)Molar Volume: 103.667 cm3; (13)Polarizability: 12.986×10-24cm3; (14)Surface Tension: 45.853 dyne/cm; (15)Density: 1.227 g/cm3; (16)Flash Point: 87.081 °C; (17)Enthalpy of Vaporization: 45.68 kJ/mol; (18)Boiling Point: 220.376 °C at 760 mmHg; (19)Vapour Pressure: 0.113 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CC(=O)c1cncs1
(2)InChI:InChI=1/C5H5NOS/c1-4(7)5-2-6-3-8-5/h2-3H,1H3
(3)InChIKey:DBNLYQBYTOYCGO-UHFFFAOYAV