Molecule

ID:85478

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₄S₂
Molecular Mass
196.24462
Exact Mass
195.98640074
Charge
0
InChI
InChI=1S/C5H8O4S2/c6-4(7)1-10-3-11-2-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey
CZEVAMMETWVBOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSCSCC(=O)O
Isomeric Smiles
O=C(O)CSCSCC(=O)O
Calculated Properties
JChem
Acid pKa
3.5246778
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.0623229
LogD (pH = 7.4)
-6.23757
Log P
0.15051205
Molar Refractivity
43.4719
Polarizability
17.283773
Polar Surface Area
74.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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