Molecule

ID:107143

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁O₂PS₂
Molecular Mass
186.232701
Exact Mass
185.99380822
Charge
0
InChI
InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
InChIKey
IRDLUHRVLVEUHA-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(OCC)S
Isomeric Smiles
CCOP(=S)(S)OCC
Calculated Properties
JChem
Acid pKa
1.3514
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.5429469
LogD (pH = 7.4)
0.54191536
Log P
2.0848842
Molar Refractivity
45.0958
Polarizability
19.275204
Polar Surface Area
18.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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