CAS No.64837-49-6,Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	64837-49-6
Name:	Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate
Article Data:	3

Formula:	C₅H₅ClN₂O₂S
Molecular Weight:	192.626
Synonyms:	5-Chloro-[1,3,4]thiadiazole-2-carboxylicacid ethyl ester;Ethyl 2-chloro-1,3,4-thiadiazole-5-carboxylate;Ethyl5-chloro-1,3,4-thiadiazole-2-carboxylate;
Density:	1.462 g/cm³
Melting Point:	29 °C
Boiling Point:	288.2 °C at 760 mmHg
Flash Point:	128.1 °C
PSA:	80.32000
LogP:	1.36820

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Specification

The Systematic name about this chemical is ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate. The cas register number of Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate is 64837-49-6. It also can be called as 1,3,4-thiadiazole-2-carboxylic acid, 5-chloro-, ethyl ester.

Physical properties about Ethyl 5-chloro-1,3,4-thiadiazole-2-carboxylate are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.2; (6)ACD/BCF (pH 7.4): 18.2; (7)ACD/KOC (pH 5.5): 277.73; (8)ACD/KOC (pH 7.4): 277.73; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 80.32Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 42.12 cm³; (15)Molar Volume: 131.7 cm³; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.462 g/cm³; (18)Flash Point: 128.1 °C; (19)Enthalpy of Vaporization: 52.74 kJ/mol; (20)Boiling Point: 288.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00237 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C(OCC)c1nnc(Cl)s1
2.InChI: InChI=1/C5H5ClN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3
3.InChIKey: YQWCUJDSRXQJRN-UHFFFAOYAI
4.Std. InChI: InChI=1S/C5H5ClN2O2S/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3