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CAS No.: | 29682-53-9 |
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Name: | 5-Methyl-1,2,3-thiadiazole-4-carboxylic acid ethyl ester |
Molecular Structure: | |
Formula: | C6H8N2O2S |
Molecular Weight: | 172.2049 |
Synonyms: | 4-(Ethoxycarbonyl)-5-methyl-1,2,3-thiadiazole;NSC 522441; |
Density: | 1.265 g/cm3 |
Melting Point: | 35 °C |
Boiling Point: | 241.7 °C at 760 mmHg |
Flash Point: | 100 °C |
PSA: | 80.32000 |
LogP: | 1.02320 |
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The Ethyl 5-methyl-1,2,3-thiadiazole-4-carboxylate, with the CAS registry number 29682-53-9, is also known as 1,2,3-Thiadiazole-4-carboxylic acid, 5-methyl-, ethyl ester. This chemical's molecular formula is C6H8N2O2S and molecular weight is 172.20492. Its IUPAC name is called ethyl 5-methylthiadiazole-4-carboxylate.
Physical properties of Ethyl 5-methyl-1,2,3-thiadiazole-4-carboxylate: (1)ACD/LogP: 1.76; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.53; (5)Molar Refractivity: 42.05 cm3; (6)Molar Volume: 136 cm3; (7)Surface Tension: 49.5 dyne/cm; (8)Density: 1.265 g/cm3; (9)Flash Point: 100 °C; (10)Enthalpy of Vaporization: 47.86 kJ/mol; (11)Boiling Point: 241.7 °C at 760 mmHg; (12)Vapour Pressure: 0.0354 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(SN=N1)C
(2)InChI: InChI=1S/C6H8N2O2S/c1-3-10-6(9)5-4(2)11-8-7-5/h3H2,1-2H3
(3)InChIKey: TUEYHEWXYWCDHA-UHFFFAOYSA-N