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159846-13-6 | 1,3-Dithiole-2-thione, 4,5-bis(octadecylthio)-
CAS No: 159846-13-6 Catalog No: AG001RFI MDL No:
Product Description
Catalog Number:
AG001RFI
Chemical Name:
1,3-Dithiole-2-thione, 4,5-bis(octadecylthio)-
CAS Number:
159846-13-6
Molecular Formula:
C39H74S5
Molecular Weight:
703.3299
IUPAC Name:
4,5-bis(octadecylsulfanyl)-1,3-dithiole-2-thione
InChI:
InChI=1S/C39H74S5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-37-38(44-39(40)43-37)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChI Key:
GQNOJXPUQSWULI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCSc1sc(=S)sc1SCCCCCCCCCCCCCCCCCC
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
702.439g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
703.321g/mol
Monoisotopic Mass:
702.439g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21.1
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