Molecule

ID:125681

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀OS₂
Molecular Mass
162.273
Exact Mass
162.01730694
Charge
0
InChI
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKey
JDLKFOPOAOFWQN-UHFFFAOYSA-N
Canonic Smiles
C=CCSS(=O)CC=C
Isomeric Smiles
O=S(SCC=C)CC=C
Calculated Properties
JChem
LogD (pH = 7.4)
2.02
LogD (pH = 5.5)
2.02
Log P
2.02
Rotatable Bonds
5
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-5.68
Polar Surface Area
17.07
Polarizability
17.06
Molar Refractivity
44.93
LOG S
-1.80
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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