1,2,3-Thiadiazole,5-chloro-4-phenyl- supplier

Name
5-CHLORO-4-PHENYL-1,2,3-THIADIAZOLE
EINECS
CAS No. 53646-00-7
Density 1.379 g/cm³
Solubility
Melting Point 93-95°C
Formula C₈H₅ClN₂S
Boiling Point 301 °C at 760 mmHg
Molecular Weight 196.6567
Flash Point 135.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-4-phenyl-1,2,3-thiadiazole;
PSA 54.02000
LogP 2.85850

1,2,3-Thiadiazole,5-chloro-4-phenyl- Specification

This chemical is called 1,2,3-Thiadiazole,5-chloro-4-phenyl-, and its CAS registry number is 53646-00-7. With the molecular formula of C₈H₅ClN₂S, its molecular weight is 196.6567.

Other characteristics of the 1,2,3-Thiadiazole,5-chloro-4-phenyl- can be summarised as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 117.23; (6)ACD/BCF (pH 7.4): 117.23; (7)ACD/KOC (pH 5.5): 1053.47; (8)ACD/KOC (pH 7.4): 1053.47; (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: 1.623; (14)Molar Refractivity: 50.3 cm³; (15)Molar Volume: 142.5 cm³; (16)Polarizability: 19.94×10^-24cm³; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.379 g/cm³; (19)Flash Point: 135.9 °C; (20)Enthalpy of Vaporization: 51.95 kJ/mol; (21)Boiling Point: 301 °C at 760 mmHg; (22)Vapour Pressure: 0.00193 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2snnc2c1ccccc1
2.InChI: InChI=1/C8H5ClN2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6/h1-5H
3.InChIKey: SQCPDDVZJOHPAZ-UHFFFAOYAS

Product Name

5-CHLORO-4-PHENYL-1,2,3-THIADIAZOLE

1,2,3-Thiadiazole,5-chloro-4-phenyl- Specification

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