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88416-47-1 | Benzene, hexakis(tridecylthio)-
CAS No: 88416-47-1 Catalog No: AG004EWU MDL No:
Product Description
Catalog Number:
AG004EWU
Chemical Name:
Benzene, hexakis(tridecylthio)-
CAS Number:
88416-47-1
Molecular Formula:
C84H162S6
Molecular Weight:
1364.5751
IUPAC Name:
1,2,3,4,5,6-hexakis(tridecylsulfanyl)benzene
InChI:
InChI=1S/C84H162S6/c1-7-13-19-25-31-37-43-49-55-61-67-73-85-79-80(86-74-68-62-56-50-44-38-32-26-20-14-8-2)82(88-76-70-64-58-52-46-40-34-28-22-16-10-4)84(90-78-72-66-60-54-48-42-36-30-24-18-12-6)83(89-77-71-65-59-53-47-41-35-29-23-17-11-5)81(79)87-75-69-63-57-51-45-39-33-27-21-15-9-3/h7-78H2,1-6H3
InChI Key:
OMJVZKJPBYUQDB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCSc1c(SCCCCCCCCCCCCC)c(SCCCCCCCCCCCCC)c(c(c1SCCCCCCCCCCCCC)SCCCCCCCCCCCCC)SCCCCCCCCCCCCC
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1363.1g/mol
Formal Charge:
0
Heavy Atom Count:
90
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1364.58g/mol
Monoisotopic Mass:
1363.1g/mol
Rotatable Bond Count:
78
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
41.7
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