1-Propanone,1-(2-thiazolyl)- (43039-98-1)

The 2-Propionylthiazole with the cas number 43039-98-1 is also called 1-Propanone,1-(2-thiazolyl)-. Both the systematic name and IUPAC name are 1-(1,3-thiazol-2-yl)propan-1-one. Its molecular formula is C₆H₇NOS. The product's category is thiazole Flavor.

The properties of the chemical are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.85; (7)ACD/KOC (pH 5.5): 73.72; (8)ACD/KOC (pH 7.4): 73.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.2 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 37.38 cm³; (15)Molar Volume: 120.1 cm³; (16)Polarizability: 14.82×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Enthalpy of Vaporization: 46.26 kJ/mol; (19)Vapour Pressure: 0.0836 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is flammable. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1nccs1)CC
(2)InChI: InChI=1/C6H7NOS/c1-2-5(8)6-7-3-4-9-6/h3-4H,2H2,1H3
(3)InChIKey: TYRAENAWSLPSLW-UHFFFAOYAF

The toxicity data is as follows: