Molecule

ID:130650

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂S₂
Molecular Mass
152.23512
Exact Mass
151.9965715
Charge
0
InChI
InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
InChIKey
YPGMOWHXEQDBBV-QWWZWVQMSA-N
Canonic Smiles
O[C@@H]1CSSC[C@H]1O
Isomeric Smiles
C1[C@H]([C@@H](CSS1)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.59
LogD (pH = 5.5)
-0.59
Log P
-0.59
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
13.48
Polar Surface Area
40.46
Polarizability
14.18
Molar Refractivity
37.27
LOG S
-1.56
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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