5-[1-METHYL-2-(3-METHYLTHIAZOLIDIN-2-YLIDENE)ETHYLIDENE]-4-OXO-2-THIOXOTHIAZOLIDINE-3-ACETIC ACID, COMPOUND WITH PIPERIDINE (1:1)

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

Structure

InChI Key LKTADPDFIFULIQ-HAMFBJRISA-N
Smiles CN1CCSC1=C/C(C)=C/2N(CC(O)=O)C(=S)SC2=O.C3CCNCC3
InChI
InChI=1S/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)20-12(18)14(10)6-9(15)16/h5H,3-4,6H2,1-2H3,(H,15,16)/b8-5+,10-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H14N2O3S3
Molecular Weight 330.02
AlogP 1.73
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 60.85
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 68921-77-7
NORMAN SUSDAT
CONTENTS