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Basic Information
CAS No.: 5848-93-1
Name: 5-CHLORO-3-(TRICHLOROMETHYL)-1,2,4-THIADIAZOLE
Article Data: 7
Molecular Structure:
Molecular Structure of 5848-93-1 (5-CHLORO-3-(TRICHLOROMETHYL)-1,2,4-THIADIAZOLE)
Formula: C3Cl4N2S
Molecular Weight: 237.924
Synonyms: 5-Chloro-3-(trichloromethyl)-1,2,4-thiadiazole;
Density: 1.849 g/cm3
Boiling Point: 252.3 °C at 760 mmHg
Flash Point: 106.4 °C
PSA: 54.02000
LogP: 3.01820
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    1,2,4-THIADIAZOLE,5-CHLORO-3-(TRICHLOROMETHYL)-Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

This chemical is called 1,2,4-Thiadiazole,5-chloro-3-(trichloromethyl)-, and its systematic name is 5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole. With the molecular formula of C3Cl4N2S, its molecular weight is 237.9225. The CAS registry number of this chemical is 5848-93-1.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 189.09; (6)ACD/BCF (pH 7.4): 189.09; (7)ACD/KOC (pH 5.5): 1483.35; (8)ACD/KOC (pH 7.4): 1483.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 54.02 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 44.75 cm3; (15)Molar Volume: 128.6 cm3; (16)Polarizability: 17.74×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.849 g/cm3; (19)Flash Point: 106.4 °C; (20)Enthalpy of Vaporization: 46.99 kJ/mol; (21)Boiling Point: 252.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0309 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClC(Cl)(Cl)c1nc(Cl)sn1
2.InChI: InChI=1/C3Cl4N2S/c4-2-8-1(9-10-2)3(5,6)7
3.InChIKey: MARKPJMFLDWCID-UHFFFAOYAS