Molecule

ID:66712

General Information
Structure
MolImage
Molecular Formula
C₄H₅NO₂S₂
Molecular Mass
163.218
Exact Mass
162.97617041
Charge
0
InChI
InChI=1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
InChIKey
KTFDYVNEGTXQCV-UHFFFAOYSA-N
Canonic Smiles
NS(=O)(=O)c1cccs1
Isomeric Smiles
c1(cccs1)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
8.85112
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.52554315
LogD (pH = 7.4)
0.5123598
Log P
0.5257145
Molar Refractivity
34.4816
Polarizability
14.413351
Polar Surface Area
60.16
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
No Data Available
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Molecule Details
References
Bioactivity
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