2-Thiazolecarboxaldehyde,4-methyl- (13750-68-0)

The 4-Methyl-1,3-thiazole-2-carboxaldehyde, with CAS registry number 13750-68-0, belongs to the following product categories: (1)Aldehydes; (2)Thiazoles, Isothiazoles &Benzothiazoles; (3)Heterocyclic Compounds; (4)Building Blocks; (5)Heterocyclic Building Blocks; (6)Thiazoles. It has the systematic name of 4-methyl-1,3-thiazole-2-carbaldehyde. And the chemical formula of this chemical is C₅H₅NOS.

Physical properties of 4-Methyl-1,3-thiazole-2-carboxaldehyde: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.893; (4)ACD/LogD (pH 7.4): 0.893; (5)ACD/BCF (pH 5.5): 2.812; (6)ACD/BCF (pH 7.4): 2.812; (7)ACD/KOC (pH 5.5): 72.943; (8)ACD/KOC (pH 7.4): 72.945; (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: 1.601; (14)Molar Refractivity: 34.306 cm³; (15)Molar Volume: 100.078 cm³; (16)Polarizability: 13.6×10^-24cm³; (17)Surface Tension: 50.879 dyne/cm; (18)Enthalpy of Vaporization: 45.361 kJ/mol; (19)Vapour Pressure: 0.074 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Methyl-1,3-thiazole-2-carboxaldehyde is harmful if swallowed. This chemical irritates to eyes and it may cause sensitization by skin contact. 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1csc(n1)C=O
(2)InChI: InChI=1/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
(3)InChIKey: NYMCQLLAIMUVSY-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
(5)Std. InChIKey: NYMCQLLAIMUVSY-UHFFFAOYSA-N