5-Thiazolecarboxaldehyde,2,4-dimethyl- (95453-54-6)

The 2,4-Dimethylthiazole-5-carboxaldehyde, with cas registry number 95453-54-6, belongs to the following product categories: (1)ALDEHYDE; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Thiazoles. It has the systematic name of 2,4-dimethylthiazole-5-carbaldehyde. And its IUPAC name is 2,4-dimethyl-1,3-thiazole-5-carbaldehyde.

Physical properties about this chemical are: (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): 11.75; (5)ACD/KOC (pH 7.4): 11.756; (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: 1.588; (11)Molar Refractivity: 39.131 cm³; (12)Molar Volume: 116.353 cm³; (13)Polarizability: 15.513×10^-24cm³; (14)Surface Tension: 47.171 dyne/cm; (15)Enthalpy of Vaporization: 47.575 kJ/mol; (16)Vapour Pressure: 0.041 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2,4-Dimethylthiazole-5-carboxaldehyde irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides this, this chemical is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(sc(n1)C)C=O
(2)InChI: InChI=1/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
(3)InChIKey: XAHWXDLKIYXDCK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H7NOS/c1-4-6(3-8)9-5(2)7-4/h3H,1-2H3
(5)Std. InChIKey: XAHWXDLKIYXDCK-UHFFFAOYSA-N