Molecule

ID:2862

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₄S₂
Molecular Mass
198.2605
Exact Mass
198.0020508
Charge
0
InChI
InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)
InChIKey
CRNXHFXAXBWIRH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CSCCS(=O)(=O)O
Isomeric Smiles
CC(=O)CSCCS(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.90
LogD (pH = 5.5)
-2.90
Log P
-0.52
Rotatable Bonds
5
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-1.03
Polar Surface Area
71.44
Polarizability
18.72
Molar Refractivity
43.56
LOG S
-0.47
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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