3-(5-Bromo-2-thienyl)-5-methyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-(5-Bromo-2-thienyl)-5-methyl-1,2,4-oxadiazole
• CAS No.: 180530-13-6
• Molecular Formula: C7H5BrN2OS
• Molecular Weight: 245.10
• DSSTox Substance ID: DTXSID40380136
• Wikidata: Q82170213
• Mol file: 180530-13-6.mol

Synonyms:3-(5-bromo-2-thienyl)-5-methyl-1,2,4-oxadiazole;180530-13-6;3-(5-bromothiophen-2-yl)-5-methyl-1,2,4-oxadiazole;SCHEMBL12402418;DTXSID40380136;MFCD03407331;AKOS015911039;BP-10670;MS-22160;CS-0359568;FT-0613699;W-206283

Chemical Property of 3-(5-Bromo-2-thienyl)-5-methyl-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 0.000119mmHg at 25°C
• Melting Point: 54 °C
• Refractive Index: 1.604
• Boiling Point: 346 °C at 760 mmHg
• PKA: -2.00±0.39(Predicted)
• Flash Point: 163 °C
• PSA: 67.16000
• Density: 1.679 g/cm³
• LogP: 2.86900
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 243.93060
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%Min ^*data from raw suppliers

3-(5-Bromothiophen-2-yl)-5-methyl-1,2,4-oxadiazole 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NO1)C2=CC=C(S2)Br