767313-99-5
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
Name4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
1Identification
【Name】
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
【CAS】
【MDL】
MFCD05720786
【English Synonyms】
【Formula】
C28 H40 N2 O3 S
【MolWeight】
484.701
【Inchi】
InChI=1S/C28H40N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27(31)30-29-23-24-18-20-25(21-19-24)33-28(32)26-16-15-22-34-26/h15-16,18-23H,2-14,17H2,1H3,(H,30,31)/b29-23+
【InChIKey】
InChIKey=WKZIHSMXMNVJBT-BYNJWEBRSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2cccs2
【MOL File】
4-(2-PALMITOYLCARBOH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE.cml