1,2,4-Thiadiazole,5-chloro-3-(trichloromethyl)- supplier

Name
5-CHLORO-3-(TRICHLOROMETHYL)-1,2,4-THIADIAZOLE
EINECS
CAS No. 5848-93-1
Article Data7
CAS DataBase
Density 1.849 g/cm³
Solubility
Melting Point
Formula C₃Cl₄N₂S
Boiling Point 252.3 °C at 760 mmHg
Molecular Weight 237.924
Flash Point 106.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-3-(trichloromethyl)-1,2,4-thiadiazole;
PSA 54.02000
LogP 3.01820

1,2,4-Thiadiazole,5-chloro-3-(trichloromethyl)- 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

Product Name

5-CHLORO-3-(TRICHLOROMETHYL)-1,2,4-THIADIAZOLE

1,2,4-Thiadiazole,5-chloro-3-(trichloromethyl)- Specification

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