THIOPEROXYDICARBONIC DIAMIDE ([(H2N)C(S)]2S2), N,N'-BIS(1-METHYLETHYL)-N,N'-DIOCTADECYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6067911

Structure

InChI Key PAHVWNRWGPYIMP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)SSC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C
InChI
InChI=1S/C44H88N2S4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(41(3)4)43(47)49-50-44(48)46(42(5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H88N2S4
Molecular Weight 772.58
AlogP 16.88
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 36.0
Polar Surface Area 6.48
Heavy Atoms 50.0

Cross References

Resources Reference
CAS NUMBER 35318-10-6
NORMAN SUSDAT
PubChem 118807
ChemSpider 106164.0
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