Molecule

ID:82701

General Information
Structure
MolImage
Molecular Formula
C₈H₈OS₂
Molecular Mass
184.27852
Exact Mass
184.00165688
Charge
0
InChI
InChI=1S/C8H8OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-3,8H,4-5H2
InChIKey
GSSLTFJARJISDG-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC(C1)c1cccs1
Isomeric Smiles
S1C(c2cccs2)CC(=O)C1
Calculated Properties
JChem
Acid pKa
17.970633
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1477618
LogD (pH = 7.4)
2.1477618
Log P
2.1477618
Molar Refractivity
48.1634
Polarizability
18.765478
Polar Surface Area
17.07
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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