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| CAS No.: | 3989-36-4 |
|---|---|
| Name: | ETHYL 1,2,3-THIADIAZOLE-4-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C5H6N2O2S |
| Molecular Weight: | 158.181 |
| Synonyms: | NSC 78612;4-(Ethoxycarbonyl)-1,2,3-thiadiazole; |
| Density: | 1.32 g/cm3 |
| Melting Point: | 80 °C |
| Boiling Point: | 231.1 °C at 760 mmHg |
| Flash Point: | 93.6 °C |
| Safety: | 24/25 |
| PSA: | 80.32000 |
| LogP: | 0.71480 |
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Specification
The Ethyl 1,2,3-thiadiazole-4-carboxylate is an organic compound with the formula C5H6N2O2S. With the CAS registry number 3989-36-4, the IUPAC name of this chemical is ethyl thiadiazole-4-carboxylate. Besides, it should be stored in a closed cool and dry place.
Physical properties about Ethyl 1,2,3-thiadiazole-4-carboxylate are: (1)ACD/LogP: 1.30; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 80.32 Å2; (5)Index of Refraction: 1.533; (6)Molar Refractivity: 37.22 cm3; (7)Molar Volume: 119.7 cm3; (8)Polarizability: 14.75×10-24cm3; (9)Surface Tension: 53.1 dyne/cm; (10)Density: 1.32 g/cm3; (11)Flash Point: 93.6 °C; (12)Enthalpy of Vaporization: 46.78 kJ/mol; (13)Boiling Point: 231.1 °C at 760 mmHg; (14)Vapour Pressure: 0.0633 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nnsc1
(2)InChI: InChI=1/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3
(3)InChIKey: FBUHTNOJXVICFM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H6N2O2S/c1-2-9-5(8)4-3-10-7-6-4/h3H,2H2,1H3
(5)Std. InChIKey: FBUHTNOJXVICFM-UHFFFAOYSA-N