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101258-23-5

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Basic Information
CAS No.: 101258-23-5
Name: 5-Chloro-3-ethyl-1,2,4-thiadiazole
Molecular Structure:
Molecular Structure of 101258-23-5 (5-Chloro-3-ethyl-1,2,4-thiadiazole)
Formula: C4H5ClN2S
Molecular Weight: 148.616
Synonyms: 5-Chloro-3-ethyl-1,2,4-thiadiazole;
Density: 1.349 g/cm3
Melting Point: -18 °C
Boiling Point: 234.1 °C at 760 mmHg
Flash Point: 95.4 °C
PSA: 54.02000
LogP: 1.75390
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Specification

This chemical is called 1,2,4-Thiadiazole,5-chloro-3-ethyl-, and its systematic name is 5-chloro-3-ethyl-1,2,4-thiadiazole. With the molecular formula of C4H5ClN2S, its molecular weight is 148.6139. The CAS registry number of this chemical is 101258-23-5.

Other characteristics of the 1,2,4-Thiadiazole,5-chloro-3-ethyl- can be summarised as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.17; (6)ACD/BCF (pH 7.4): 16.17; (7)ACD/KOC (pH 5.5): 255.21; (8)ACD/KOC (pH 7.4): 255.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 35.26 cm3; (15)Molar Volume: 110.1 cm3; (16)Polarizability: 13.97×10-24cm3; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 95.4 °C; (20)Enthalpy of Vaporization: 45.17 kJ/mol; (21)Boiling Point: 234.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0824 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1nc(CC)ns1
2.InChI: InChI=1/C4H5ClN2S/c1-2-3-6-4(5)8-7-3/h2H2,1H3
3.InChIKey: NWPLNDNOAIZDHV-UHFFFAOYAB