1,2,4-Oxadiazole,3-(chloromethyl)-5-(3-thienyl)- supplier

Name
3-(CHLOROMETHYL)-5-(3-THIENYL)-1,2,4-OXADIAZOLE
EINECS
CAS No. 184970-24-9
Density 1.421 g/cm³
Solubility
Melting Point 69-70 °C
Formula C₇H₅ClN₂OS
Boiling Point 332.9 °Cat760mmHg
Molecular Weight 200.649
Flash Point 155.1°C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols C
Synonyms 3-(chloromethyl)-5-(3-thienyl)-1,2,4-oxadiazole; 3-(chloromethyl)-5-thiophen-3-yl-1,2,4-oxadiazole
PSA 67.16000
LogP 2.53690

1,2,4-Oxadiazole,3-(chloromethyl)-5-(3-thienyl)- Specification

This chemical is called 1,2,4-Oxadiazole,3-(chloromethyl)-5-(3-thienyl)-, and its systematic name is 3-(chloromethyl)-5-thiophen-3-yl-1,2,4-oxadiazole. With the molecular formula of C₇H₅ClN₂OS, its molecular weight is 200.6477. The CAS registry number of this chemical is 184970-24-9.

Other characteristics of the 1,2,4-Oxadiazole,3-(chloromethyl)-5-(3-thienyl)- can be summarised as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.53; (6)ACD/BCF (pH 7.4): 15.53; (7)ACD/KOC (pH 5.5): 247.88; (8)ACD/KOC (pH 7.4): 247.88; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.16 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 47.47 cm³; (15)Molar Volume: 141.1 cm³; (16)Polarizability: 18.82×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.421 g/cm³; (19)Flash Point: 155.1 °C; (20)Enthalpy of Vaporization: 55.29 kJ/mol; (21)Boiling Point: 332.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000274 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCc1noc(n1)c2ccsc2
2.InChI: InChI=1/C7H5ClN2OS/c8-3-6-9-7(11-10-6)5-1-2-12-4-5/h1-2,4H,3H2
3.InChIKey: KHJYOJVUQYWASE-UHFFFAOYAN

Product Name

3-(CHLOROMETHYL)-5-(3-THIENYL)-1,2,4-OXADIAZOLE

1,2,4-Oxadiazole,3-(chloromethyl)-5-(3-thienyl)- Specification

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