(5R)-5-VINYL-1,3-OXAZOLIDINE-2-THIONE

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Molecule Category Free-form
UNII 2N815D740R
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key UZQVYLOFLQICCT-SCSAIBSYSA-N
Smiles C=C[C@@H]1CNC(=S)O1
InChI
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7NOS
Molecular Weight 129.18
AlogP 1.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 53.35
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0

Cross References

Resources Reference
ChEMBL CHEMBL442589
FDA SRS 2N815D740R
PubChem 3032313
SureChEMBL SCHEMBL3500968
ZINC ZINC05226611
CONTENTS