Molecule

ID:123292

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁KOS₂
Molecular Mass
202.37924
Exact Mass
201.98883865
Charge
0
InChI
InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
InChIKey
CMXOFNZFIJEFDA-UHFFFAOYSA-M
Canonic Smiles
CC(CCOC(=S)[S-])C.[K+]
Isomeric Smiles
C(=S)([S-])OCCC(C)C.[K+]
Calculated Properties
JChem
Acid pKa
1.1406586
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.2675104
LogD (pH = 7.4)
2.2672687
Log P
3.4102476
Molar Refractivity
47.8364
Polarizability
19.32248
Polar Surface Area
9.23
Rotatable Bonds
4
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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