Molecule

ID:129854

General Information
Structure
MolImage
Molecular Formula
C₆H₆S
Molecular Mass
110.17684
Exact Mass
110.01902119
Charge
0
InChI
InChI=1S/C6H6S/c1-2-4-6-7-5-3-1/h1-6H
InChIKey
BISQTCXKVNCDDA-UHFFFAOYSA-N
Canonic Smiles
C1=CC=CC=CS1
Isomeric Smiles
S1C=CC=CC=C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.4044731
LogD (pH = 7.4)
1.4044731
Log P
1.4044731
Molar Refractivity
37.4195
Polarizability
13.442597
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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