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88416-46-0 | Benzene, hexakis(undecylthio)-
CAS No: 88416-46-0 Catalog No: AG004HXQ MDL No:
Product Description
Catalog Number:
AG004HXQ
Chemical Name:
Benzene, hexakis(undecylthio)-
CAS Number:
88416-46-0
Molecular Formula:
C72H138S6
Molecular Weight:
1196.2561
IUPAC Name:
1,2,3,4,5,6-hexakis(undecylsulfanyl)benzene
InChI:
InChI=1S/C72H138S6/c1-7-13-19-25-31-37-43-49-55-61-73-67-68(74-62-56-50-44-38-32-26-20-14-8-2)70(76-64-58-52-46-40-34-28-22-16-10-4)72(78-66-60-54-48-42-36-30-24-18-12-6)71(77-65-59-53-47-41-35-29-23-17-11-5)69(67)75-63-57-51-45-39-33-27-21-15-9-3/h7-66H2,1-6H3
InChI Key:
BCQGXMKQPUUPBU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCSc1c(SCCCCCCCCCCC)c(SCCCCCCCCCCC)c(c(c1SCCCCCCCCCCC)SCCCCCCCCCCC)SCCCCCCCCCCC
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1194.912g/mol
Formal Charge:
0
Heavy Atom Count:
78
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1196.256g/mol
Monoisotopic Mass:
1194.912g/mol
Rotatable Bond Count:
66
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
35.2
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