ETHYL 4-METHYL-1,2,3-THIADIAZOLE-5-CARBOXYLATE

The 1,2,3-Thiadiazole-5-carboxylicacid, 4-methyl-, ethyl ester, with the CAS registry number 18212-20-9, is also known as ZINC00159323. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Thiadiazoles. This chemical's molecular formula is C₆H₈N₂O₂S and molecular weight is 172.20492. Its IUPAC name is called ethyl 4-methylthiadiazole-5-carboxylate.

Physical properties of 1,2,3-Thiadiazole-5-carboxylicacid, 4-methyl-, ethyl ester: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.78; (5)ACD/BCF (pH 7.4): 12.78; (6)ACD/KOC (pH 5.5): 215.59; (7)ACD/KOC (pH 7.4): 215.59; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.53; (11)Molar Refractivity: 42.05 cm³; (12)Molar Volume: 136 cm³; (13)Surface Tension: 49.5 dyne/cm; (14)Density: 1.265 g/cm³; (15)Flash Point: 100 °C; (16)Enthalpy of Vaporization: 47.86 kJ/mol; (17)Boiling Point: 241.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0354 mmHg at 25°C.

Uses of 1,2,3-Thiadiazole-5-carboxylicacid, 4-methyl-, ethyl ester: it can be used to produce 4-methyl-[1,2,3]thiadiazole-5-carboxylic acid hydrazide at temperature of 50 °C. This reaction will need reagent N₂H₄•H₂O and solvent ethanol with reaction time of 2 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(N=NS1)C
(2)InChI: InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3
(3)InChIKey: AHPXTXGCMLOXGA-UHFFFAOYSA-N