Molecule

ID:53184

General Information
Structure
MolImage
Molecular Formula
C₆H₈S
Molecular Mass
112.19272
Exact Mass
112.03467126
Charge
0
InChI
InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey
CPULIKNSOUFMPL-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(c1)C
Isomeric Smiles
c1(cc(cs1)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.91297
LogD (pH = 7.4)
2.91297
Log P
2.91297
Molar Refractivity
33.2613
Polarizability
12.492399
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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