Molecule

ID:102786

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₂S
Molecular Mass
122.186
Exact Mass
122.04015056
Charge
0
InChI
InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey
YODZTKMDCQEPHD-UHFFFAOYSA-N
Canonic Smiles
OCCSCCO
Isomeric Smiles
OCCSCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.68
LogD (pH = 5.5)
-0.68
Log P
-0.68
Rotatable Bonds
4
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.24
Polar Surface Area
40.46
Polarizability
13.34
Molar Refractivity
31.88
LOG S
0.19
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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