Molecule

ID:113538

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO₂S₂
Molecular Mass
191.27116
Exact Mass
191.00747053
Charge
0
InChI
InChI=1S/C6H9NO2S2/c1-6(7-5-10)2-3-11(8,9)4-6/h2-4H2,1H3
InChIKey
LNGYVIPVGSPZPL-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1(C)CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(N=C=S)(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.13031034
LogD (pH = 7.4)
0.13031034
Log P
0.13031034
Molar Refractivity
46.5183
Polarizability
19.131111
Polar Surface Area
46.5
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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