1005344-82-0
N-OCTYL-5-[2-[[(OCTYLAMINO)THIOXOMETHYL]AMINO]ETHYL]-9-THIOXO-2,5,8,10-TETRAAZAOCTADECANETHIOAMIDE
Name
N-OCTYL-5-[2-[[(OCTYLAMINO)THIOXOMETHYL]AMINO]ETHYL]-9-THIOXO-2,5,8,10-TETRAAZAOCTADECANETHIOAMIDE
Formula
C33 H69 N7 S3
MolWeight
660.155
1Identification
【Name】
N-OCTYL-5-[2-[[(OCTYLAMINO)THIOXOMETHYL]AMINO]ETHYL]-9-THIOXO-2,5,8,10-TETRAAZAOCTADECANETHIOAMIDE
【CAS】
【MDL】
MFCD16652517
【English Synonyms】
【Formula】
C33 H69 N7 S3
【MolWeight】
660.155
【Inchi】
InChI=1S/C33H69N7S3/c1-4-7-10-13-16-19-22-34-31(41)37-25-28-40(29-26-38-32(42)35-23-20-17-14-11-8-5-2)30-27-39-33(43)36-24-21-18-15-12-9-6-3/h4-30H2,1-3H3,(H2,34,37,41)(H2,35,38,42)(H2,36,39,43)
【InChIKey】
InChIKey=BWPLCPVNAXASDG-UHFFFAOYSA-N
【SMILES】
CCCCCCCCNC(=S)NCCN(CCNC(=S)NCCCCCCCC)CCNC(=S)NCCCCCCCC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:7
XLogP3:8.0
Bulk/Fine:F