ETHANEDITHIOAMIDE, N,N'-DICYCLOHEXYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9GKC0KG8OH
EPA CompTox DTXSID4059540

Structure

InChI Key TVTXGOPUBNYSCO-UHFFFAOYSA-N
Smiles S=C(NC1CCCCC1)C(=S)NC1CCCCC1
InChI
InChI=1S/C14H24N2S2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24N2S2
Molecular Weight 284.14
AlogP 3.49
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 24.06
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 122-36-1
NORMAN SUSDAT
FDA SRS 9GKC0KG8OH
PubChem 2824676
ChemSpider 2102858.0
CONTENTS