Molecule

ID:109709

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂OS
Molecular Mass
132.22388
Exact Mass
132.060886
Charge
0
InChI
InChI=1S/C6H12OS/c1-5-3-8-4-6(2)7-5/h5-6H,3-4H2,1-2H3
InChIKey
OIMWMHIYQYGHIM-UHFFFAOYSA-N
Canonic Smiles
CC1CSCC(O1)C
Isomeric Smiles
CC1CSCC(C)O1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3188583
LogD (pH = 7.4)
1.3188583
Log P
1.3188583
Molar Refractivity
37.2102
Polarizability
14.805944
Polar Surface Area
9.23
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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