Molecule

ID:54340

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClO₂S₂
Molecular Mass
182.64842
Exact Mass
181.92629902
Charge
0
InChI
InChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChIKey
YSPWSQNKRBSICH-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cscc1
Isomeric Smiles
s1cc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6999907
LogD (pH = 7.4)
1.6999907
Log P
1.6999907
Molar Refractivity
37.358
Polarizability
15.223689
Polar Surface Area
34.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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