7-(3-Bromophenyl)-4-Thia-1,6-Diazabicyclo[3.3.0]Octa-2,5-Diene, Oxalate
[CAS# 50648-52-7]

Identification

• Name: 7-(3-Bromophenyl)-4-Thia-1,6-Diazabicyclo[3.3.0]Octa-2,5-Diene, Oxalate
• Synonyms: 6-(3-Bromophenyl)-5,6-Dihydroimidazo[2,1-B]Thiazole; Oxalic Acid; 6-(3-Bromophenyl)-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole; Ethanedioic Acid; R 8231
• Molecular Formula: C₁₃H₁₁BrN₂O₄S
• Molecular Weight: 371.20
• CAS Registry Number: 50648-52-7
• SMILES: O=C(O)C(O)=O.C1=C(Br)C=C(C=C1)C3CN2C=CSC2=N3
• InChI: 1S/C11H9BrN2S.C2H2O4/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10;3-1(4)2(5)6/h1-6,10H,7H2;(H,3,4)(H,5,6)
• InChIKey: RLCKOBLWSSOAOS-UHFFFAOYSA-N

Properties

• Boiling point: 391.1°C at 760 mmHg (Cal.)
• Flash point: 190.3°C (Cal.)