Basic Information | Post buying leads | Suppliers |
Name |
Ethyl 1,2,3-thiadiazole-4-carboxylate |
EINECS | N/A |
CAS No. | 3989-36-4 | Density | 1.32 g/cm3 |
PSA | 80.32000 | LogP | 0.71480 |
Solubility | N/A | Melting Point |
80 °C |
Formula | C5H6N2O2S | Boiling Point | 231.1 °C at 760 mmHg |
Molecular Weight | 158.181 | Flash Point | 93.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 78612;4-(Ethoxycarbonyl)-1,2,3-thiadiazole; |
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