1-(4-PYRIDYL)-3-(1,2,2-TRIMETHYLPROPYL)THIOUREA

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00985909

Structure

InChI Key TYNORQRGVYNOSO-UHFFFAOYSA-N
Smiles S=C(NC=1C=CN=CC1)NC(C)C(C)(C)C
InChI
InChI=1/C12H19N3S/c1-9(12(2,3)4)14-11(16)15-10-5-7-13-8-6-10/h5-9H,1-4H3,(H2,13,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19N3S
Molecular Weight 237.13
AlogP 2.64
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 40.51
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 67027-06-9
NORMAN SUSDAT
PubChem 3017722
CONTENTS