Molecule

ID:125206

General Information
Structure
MolImage
Molecular Formula
C₆H₈S
Molecular Mass
112.19272
Exact Mass
112.03467126
Charge
0
InChI
InChI=1S/C6H8S/c1-2-4-6-7-5-3-1/h1-3,5H,4,6H2
InChIKey
QSZUTAPGRWXHEO-UHFFFAOYSA-N
Canonic Smiles
C1CC=CC=CS1
Isomeric Smiles
S1C=CC=CCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.6767548
LogD (pH = 7.4)
1.6767548
Log P
1.6767548
Molar Refractivity
37.1346
Polarizability
13.669114
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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