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

Name
3-(5-BROMO-2-THIENYL)-5-METHYL-1,2,4-OXADIAZOLE
EINECS
CAS No. 180530-13-6
Density 1.679 g/cm³
Solubility
Melting Point 54 °C
Formula C₇H₅BrN₂OS
Boiling Point 346 °C at 760 mmHg
Molecular Weight 245.10
Flash Point 163 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2-Bromothien-5-yl)-5-methyl-1,2,4-oxadiazole;
PSA 67.16000
LogP 2.86900

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

This chemical is called 1,2,4-Oxadiazole, 3-(5-bromo-2-thienyl)-5-methyl-, and its systematic name is 3-(5-bromothiophen-2-yl)-5-methyl-1,2,4-oxadiazole. With the molecular formula of C₇H₅BrN₂OS, its molecular weight is 245.10. The CAS registry number of this chemical is 180530-13-6.

Other characteristics of the 1,2,4-Oxadiazole, 3-(5-bromo-2-thienyl)-5-methyl- can be summarised as followings: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.31; (6)ACD/BCF (pH 7.4): 114.31; (7)ACD/KOC (pH 5.5): 1034.65; (8)ACD/KOC (pH 7.4): 1034.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.16 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 50.22 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 19.91×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.679 g/cm³; (19)Flash Point: 163 °C; (20)Enthalpy of Vaporization: 56.68 kJ/mol; (21)Boiling Point: 346 °C at 760 mmHg; (22)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc2sc(c1noc(n1)C)cc2
2.InChI: InChI=1/C7H5BrN2OS/c1-4-9-7(10-11-4)5-2-3-6(8)12-5/h2-3H,1H3
3.InChIKey: ZNWQLJYQXULFQB-UHFFFAOYAT

Product Name

3-(5-BROMO-2-THIENYL)-5-METHYL-1,2,4-OXADIAZOLE

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

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