Molecule

ID:2220

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₂S₂
Molecular Mass
154.251
Exact Mass
154.01222156
Charge
0
InChI
InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2
InChIKey
KYNFOMQIXZUKRK-UHFFFAOYSA-N
Canonic Smiles
OCCSSCCO
Isomeric Smiles
OCCSSCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.54
LogD (pH = 5.5)
-0.54
Log P
-0.54
Rotatable Bonds
5
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.14
Polar Surface Area
40.46
Polarizability
15.95
Molar Refractivity
39.90
LOG S
-0.87
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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