Molecule

ID:111033

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁KOS₂
Molecular Mass
202.37924
Exact Mass
201.98883865
Charge
0
InChI
InChI=1S/C6H12OS2.K/c1-3-4-5(2)7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKey
MPKDOJKIBYZQDA-UHFFFAOYSA-M
Canonic Smiles
[S-]C(=S)OC(CCC)C.[K+]
Isomeric Smiles
[K+].CCCC(C)OC(=S)[S-]
Calculated Properties
JChem
Acid pKa
1.1336982
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3970623
LogD (pH = 7.4)
2.3968244
Log P
3.5398035
Molar Refractivity
47.7066
Polarizability
19.322615
Polar Surface Area
9.23
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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