Molecule

ID:125958

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂S₂
Molecular Mass
150.21924
Exact Mass
149.98092143
Charge
0
InChI
InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
InChIKey
AYGMEFRECNWRJC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CSSC1
Isomeric Smiles
O=C(O)C1CSSC1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.37
LogD (pH = 5.5)
-0.73
Log P
0.79
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.98
Polar Surface Area
37.30
Polarizability
13.74
Molar Refractivity
35.96
LOG S
-1.67
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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