Molecule

ID:106821

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄S
Molecular Mass
118.24036
Exact Mass
118.08162145
Charge
0
InChI
InChI=1S/C6H14S/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3
InChIKey
ABIKQXWLJOURPN-UHFFFAOYSA-N
Canonic Smiles
CSCCC(C)C
Isomeric Smiles
CSCCC(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7307196
LogD (pH = 7.4)
2.7307196
Log P
2.7307196
Molar Refractivity
37.3631
Polarizability
14.865629
Polar Surface Area
0.0
Rotatable Bonds
3
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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