Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DN2GRE3L3E
EPA CompTox DTXSID30242936

Structure

InChI Key CSOZJWJXTNWDRD-UHFFFAOYSA-N
Smiles O=C1N(C(=S)N(C)C1)CC=C
InChI
InChI=1/C7H10N2OS/c1-3-4-9-6(10)5-8(2)7(9)11/h3H,1,4-5H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2OS
Molecular Weight 170.05
AlogP 0.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 23.55
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 97403-83-3
NORMAN SUSDAT
FDA SRS DN2GRE3L3E
PubChem 3024866