Molecule

ID:64019

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀OS
Molecular Mass
118.1973
Exact Mass
118.04523594
Charge
0
InChI
InChI=1S/C5H10OS/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKey
DGKBZCVRJYWBAE-UHFFFAOYSA-N
Canonic Smiles
OCC1(C)CSC1
Isomeric Smiles
C1(CSC1)(C)CO
Calculated Properties
JChem
Acid pKa
15.066878
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.59536237
LogD (pH = 7.4)
0.59536237
Log P
0.59536237
Molar Refractivity
32.4205
Polarizability
12.89231
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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