Molecule

ID:34858

General Information
Structure
MolImage
Molecular Formula
C₅H₈OS
Molecular Mass
116.18142
Exact Mass
116.02958588
Charge
0
InChI
InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
InChIKey
OVRJVKCZJCNSOW-UHFFFAOYSA-N
Canonic Smiles
O=C1CCSCC1
Isomeric Smiles
S1CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
18.934826
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9989869
LogD (pH = 7.4)
0.9989869
Log P
0.9989869
Molar Refractivity
31.4655
Polarizability
12.347539
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation