Molecule

ID:127163

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₂S₂
Molecular Mass
154.251
Exact Mass
154.01222156
Charge
0
InChI
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
InChIKey
VHJLVAABSRFDPM-ZXZARUISSA-N
Canonic Smiles
SC[C@H]([C@H](CS)O)O
Isomeric Smiles
SC[C@@H](O)[C@@H](O)CS
Calculated Properties
JChem
LogD (pH = 7.4)
-0.28
LogD (pH = 5.5)
-0.28
Log P
-0.28
Rotatable Bonds
3
H Donor
4
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.62
Polar Surface Area
40.46
Polarizability
15.57
Molar Refractivity
38.84
LOG S
-0.64
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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