Molecule

ID:111782

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₂S
Molecular Mass
150.23916
Exact Mass
150.07145069
Charge
0
InChI
InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3
InChIKey
JEXYCADTAFPULN-UHFFFAOYSA-N
Canonic Smiles
CCCS(=O)(=O)CCC
Isomeric Smiles
CCCS(=O)(=O)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7620674
LogD (pH = 7.4)
0.7620674
Log P
0.7620674
Molar Refractivity
38.9122
Polarizability
15.966852
Polar Surface Area
34.14
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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