Molecule

ID:87128

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂S₂
Molecular Mass
178.2724
Exact Mass
178.01222156
Charge
0
InChI
InChI=1S/C6H10O2S2/c1-2-8-5(7)6-9-3-4-10-6/h6H,2-4H2,1H3
InChIKey
OMCSHTHLIQOHDD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1SCCS1
Isomeric Smiles
S1C(C(=O)OCC)SCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3441181
LogD (pH = 7.4)
1.3441181
Log P
1.3441181
Molar Refractivity
45.0554
Polarizability
17.982906
Polar Surface Area
26.3
Rotatable Bonds
3
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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