Molecule

ID:129763

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀S
Molecular Mass
90.1872
Exact Mass
90.05032132
Charge
0
InChI
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
InChIKey
WMXCDAVJEZZYLT-UHFFFAOYSA-N
Canonic Smiles
CC(S)(C)C
Isomeric Smiles
SC(C)(C)C
Calculated Properties
JChem
Acid pKa
10.018098
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.5791838
LogD (pH = 7.4)
1.5782262
Log P
1.5791961
Molar Refractivity
28.1939
Polarizability
11.169648
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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