Molecule

ID:13805

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁NS
Molecular Mass
105.20184
Exact Mass
105.06122036
Charge
0
InChI
InChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
InChIKey
KKYSBGWCYXYOHA-UHFFFAOYSA-N
Canonic Smiles
CSCCCN
Isomeric Smiles
C(CN)CSC
Calculated Properties
JChem
LogD (pH = 7.4)
-2.21
LogD (pH = 5.5)
-2.64
Log P
0.38
Rotatable Bonds
3
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.18
Polar Surface Area
26.02
Polarizability
12.72
Molar Refractivity
31.76
LOG S
-0.17
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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