133148-33-1
OCTAETHYLTHIO-DIBENZO-TETRATHIAFULVALENE
NameOCTAETHYLTHIO-DIBENZO-TETRATHIAFULVALENE
1Identification
【Name】
OCTAETHYLTHIO-DIBENZO-TETRATHIAFULVALENE
【CAS】
【MDL】
MFCD00145027
【English Synonyms】
【Formula】
C30 H40 S12
【MolWeight】
785.438
【Inchi】
InChI=1S/C30H40S12/c1-9-31-17-18(32-10-2)22(36-14-6)26-25(21(17)35-13-5)39-29(40-26)30-41-27-23(37-15-7)19(33-11-3)20(34-12-4)24(38-16-8)28(27)42-30/h9-16H2,1-8H3
【InChIKey】
InChIKey=HVDCMUGJULQSSG-UHFFFAOYSA-N
【SMILES】
CCSc1c2c(c(c(c1SCC)SCC)SCC)SC(=C3Sc4c(c(c(c(c4SCC)SCC)SCC)SCC)S3)S2
【MOL File】
OCTAETHYLTHIO-DIBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OCTAETHYLTHIO-DIBENZO-TETRATHIAFULVALENE.cml