S-(2-CARBOXYPROPYL)CYSTEAMINE

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

Structure

InChI Key UFRVABODKAYFCB-UHFFFAOYSA-N
Smiles CC(CSCCN)C(O)=O
InChI
InChI=1S/C6H13NO2S/c1-5(6(8)9)4-10-3-2-7/h5H,2-4,7H2,1H3,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13N1O2S1
Molecular Weight 163.07
AlogP 0.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 63.32
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 80186-81-8
NORMAN SUSDAT
CONTENTS