Molecule

ID:8378

General Information
Structure
MolImage
Molecular Formula
C₅H₆S
Molecular Mass
98.16614
Exact Mass
98.01902119
Charge
0
InChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccs1
Isomeric Smiles
c1(cccs1)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.40
LogD (pH = 5.5)
2.40
Log P
2.40
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
10.64
Molar Refractivity
28.22
LOG S
-1.60
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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