CAS No.3989-36-4,ETHYL 1,2,3-THIADIAZOLE-4-CARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3989-36-4
Name:	ETHYL 1,2,3-THIADIAZOLE-4-CARBOXYLATE

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