Ethanone,1-(5-thiazolyl)- supplier

Name
Ethanone, 1-(5-thiazolyl)- (9CI)
EINECS
CAS No. 91516-28-8
Article Data6
CAS DataBase
Density 1.226 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Thiazol-5-yl)ethanone;Ketone,methyl 5-thiazolyl (6CI);
PSA 58.20000
LogP 1.34570

Ethanone,1-(5-thiazolyl)- Specification

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

Product Name

Ethanone, 1-(5-thiazolyl)- (9CI)

Ethanone,1-(5-thiazolyl)- Specification

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