102107-35-7
2,11-DODECADIONE, 2,11-BIS(4-PHENYL-3-THIOSEMICARBAZONE)
Name
2,11-DODECADIONE, 2,11-BIS(4-PHENYL-3-THIOSEMICARBAZONE)
Formula
C26 H36 N6 S2
MolWeight
496.744
1Identification
【Name】
2,11-DODECADIONE, 2,11-BIS(4-PHENYL-3-THIOSEMICARBAZONE)
【CAS】
【MDL】
MFCD01746203
【English Synonyms】
【Formula】
C26 H36 N6 S2
【MolWeight】
496.744
【Inchi】
InChI=1S/C26H36N6S2/c1-21(29-31-25(33)27-23-17-11-7-12-18-23)15-9-5-3-4-6-10-16-22(2)30-32-26(34)28-24-19-13-8-14-20-24/h7-8,11-14,17-20H,3-6,9-10,15-16H2,1-2H3,(H2,27,31,33)(H2,28,32,34)/b29-21+,30-22+
【InChIKey】
InChIKey=GNAMKLXWRKLMTK-VFIVCBTMSA-N
【SMILES】
C/C(=N\NC(=S)Nc1ccccc1)/CCCCCCCC/C(=N/NC(=S)Nc2ccccc2)/C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:6
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,11-DODECADIONE, 2,11-BIS(4-PHENYL-3-THIOSEMICARBAZONE).cml
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