258264-19-6
1-(5-CHLORO-2-THIENYL)-2-(1-[2-(5-CHLORO-2-THIENYL)-2-OXOETHYL]-1H-IMIDAZOL-3-IUM-3-YL)ETHAN-1-ONE BROMIDE
Name1-(5-CHLORO-2-THIENYL)-2-(1-[2-(5-CHLORO-2-THIENYL)-2-OXOETHYL]-1H-IMIDAZOL-3-IUM-3-YL)ETHAN-1-ONE BROMIDE
FormulaC15 H11 Cl2 N2 O2 S2 . Br
1Identification
【Name】
1-(5-CHLORO-2-THIENYL)-2-(1-[2-(5-CHLORO-2-THIENYL)-2-OXOETHYL]-1H-IMIDAZOL-3-IUM-3-YL)ETHAN-1-ONE BROMIDE
【CAS】
【MDL】
MFCD00829808
【English Synonyms】
【Formula】
C15 H11 Cl2 N2 O2 S2 . Br
【MolWeight】
466.206
【Inchi】
InChI=1S/C15H11Cl2N2O2S2.BrH/c16-14-3-1-12(22-14)10(20)7-18-5-6-19(9-18)8-11(21)13-2-4-15(17)23-13;/h1-6,9H,7-8H2;1H/q+1;/p-1
【InChIKey】
InChIKey=ZCNMVWDVIOZLRD-UHFFFAOYSA-M
【SMILES】
c1cc(sc1C(=O)Cn2cc[n+](c2)CC(=O)c3ccc(s3)Cl)Cl.[Br-]
【MOL File】
1-(5-CHLORO-2-THIENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-CHLORO-2-THIENYL)-2-(1-[2-(5-CHLORO-2-THIENYL)-2-OXOETHYL]-1H-IMIDAZOL-3-IUM-3-YL)ETHAN-1-ONE BROMIDE.cml