METHYL-3-MERCAPTOPROPIONAMIDE

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

Structure

InChI Key VYQTZFNKSHBQKY-UHFFFAOYSA-N
Smiles CNC(=O)CCS
InChI
InChI=1S/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9N1O1S1
Molecular Weight 119.04
AlogP 0.89
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 32.59
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 52334-99-3
NORMAN SUSDAT
CONTENTS