Molecule

ID:92130

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₂S₂
Molecular Mass
202.2938
Exact Mass
202.01222156
Charge
0
InChI
InChI=1S/C8H10O2S2/c1-12(9,10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
ULGDVKCUYZRBEK-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)SCc1ccccc1
Isomeric Smiles
S(Cc1ccccc1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6370044
LogD (pH = 7.4)
1.6370044
Log P
1.6370044
Molar Refractivity
52.1253
Polarizability
21.315493
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation