Molecule

ID:88798

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂S₂
Molecular Mass
136.27878
Exact Mass
136.03804238
Charge
0
InChI
InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey
KMTUBAIXCBHPIZ-UHFFFAOYSA-N
Canonic Smiles
SCCCCCS
Isomeric Smiles
SCCCCCS
Calculated Properties
JChem
Acid pKa
9.89979
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.3159347
LogD (pH = 7.4)
2.3146768
Log P
2.3159509
Molar Refractivity
40.7218
Polarizability
16.05862
Polar Surface Area
0.0
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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