description
Band gap: 1.63 eV
Quality Segment
assay
99%
form
solid
solubility
organic solvents: soluble
orbital energy
HOMO -5.51 eV , LUMO -3.88 eV
SMILES string
S=C(N(CC)C/1=O)SC1=C/C(C2=NSN=C23)=CC=C3C4=CC5=C(S4)C6=CC7=C(C(SC(C8=CC=C(/C=C9SC(N(CC)C\9=O)=S)C%10=NSN=C%108)=C%11)=C%11C7(CCCCCCCCC)CCCCCCCCC)C=C6C5(CCCCCCCCC)CCCCCCCCC
InChI
1S/C76H96N6O2S8/c1-7-13-17-21-25-29-33-41-75(42-34-30-26-22-18-14-8-2)57-47-56-58(48-55(57)69-59(75)49-61(87-69)53-39-37-51(65-67(53)79-91-77-65)45-63-71(83)81(11-5)73(85)89-63)76(43-35-31-27-23-19-15-9-3,44-36-32-28-24-20-16-10-4)60-50-62(88-70(56)60)54-
InChI key
VUPVAPDLDBEWMY-GFPJCWIKSA-N
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable