Molecule

ID:89700

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂S
Molecular Mass
116.22448
Exact Mass
116.06597138
Charge
0
InChI
InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey
CMKBCTPCXZNQKX-UHFFFAOYSA-N
Canonic Smiles
SC1CCCCC1
Isomeric Smiles
SC1CCCCC1
Calculated Properties
JChem
Acid pKa
10.066618
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.428274
LogD (pH = 7.4)
2.4274175
Log P
2.428285
Molar Refractivity
35.3533
Polarizability
14.121942
Polar Surface Area
0.0
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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