Basic Information | Post buying leads | Suppliers |
Name |
1,2,4-Oxadiazole,3-(chloromethyl)-5-(3-thienyl)- |
EINECS | N/A |
CAS No. | 184970-24-9 | Density | 1.421 g/cm3 |
PSA | 67.16000 | LogP | 2.53690 |
Solubility | N/A | Melting Point |
69-70 °C |
Formula | C7H5ClN2OS | Boiling Point | 332.9 °Cat760mmHg |
Molecular Weight | 200.649 | Flash Point | 155.1°C |
Transport Information | N/A | Appearance | N/A |
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 |
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