Molecule

ID:120453

General Information
Structure
MolImage
Molecular Formula
C₄H₇KOS₂
Molecular Mass
174.32608
Exact Mass
173.95753852
Charge
0
InChI
InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
InChIKey
ZMWBGRXFDPJFGC-UHFFFAOYSA-M
Canonic Smiles
CC(OC(=S)[S-])C.[K+]
Isomeric Smiles
C(=S)([S-])OC(C)C.[K+]
Calculated Properties
JChem
Acid pKa
1.1342933
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.4299717
LogD (pH = 7.4)
1.4297334
Log P
2.5727124
Molar Refractivity
38.5816
Polarizability
15.63019
Polar Surface Area
9.23
Rotatable Bonds
2
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
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References
Bioactivity
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