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31098-15-4 | Cyclohexane, 1-(octadecylthio)-4-[2-(octadecylthio)ethyl]-
CAS No: 31098-15-4 Catalog No: AG00323S MDL No:
Product Description
Catalog Number:
AG00323S
Chemical Name:
Cyclohexane, 1-(octadecylthio)-4-[2-(octadecylthio)ethyl]-
CAS Number:
31098-15-4
Molecular Formula:
C44H88S2
Molecular Weight:
681.2995
IUPAC Name:
1-octadecylsulfanyl-4-(2-octadecylsulfanylethyl)cyclohexane
InChI:
InChI=1S/C44H88S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40-45-42-39-43-35-37-44(38-36-43)46-41-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44H,3-42H2,1-2H3
InChI Key:
QYMDYBBZOLEERB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSCCC1CCC(CC1)SCCCCCCCCCCCCCCCCCC
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
680.633g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
681.308g/mol
Monoisotopic Mass:
680.633g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21.1
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