Molecule

ID:109437

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂S
Molecular Mass
104.21378
Exact Mass
104.06597138
Charge
0
InChI
InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey
ZRKMQKLGEQPLNS-UHFFFAOYSA-N
Canonic Smiles
CCCCCS
Isomeric Smiles
CCCCCS
Calculated Properties
JChem
Acid pKa
10.200826
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.501252
LogD (pH = 7.4)
2.500623
Log P
2.50126
Molar Refractivity
32.7645
Polarizability
13.014281
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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