Molecule

ID:86041

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂S₂
Molecular Mass
202.2938
Exact Mass
202.01222156
Charge
0
InChI
InChI=1S/C8H10O2S2/c1-11-8-6(2-5-12-8)7-9-3-4-10-7/h2,5,7H,3-4H2,1H3
InChIKey
YFNAZXDWRVOWBT-UHFFFAOYSA-N
Canonic Smiles
CSc1sccc1C1OCCO1
Isomeric Smiles
s1c(c(C2OCCO2)cc1)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5310552
LogD (pH = 7.4)
2.5310552
Log P
2.5310552
Molar Refractivity
50.4618
Polarizability
20.089724
Polar Surface Area
18.46
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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