Molecule

ID:24581

General Information
Structure
MolImage
Molecular Formula
C₄H₉NS
Molecular Mass
103.18596
Exact Mass
103.04557029
Charge
0
InChI
InChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChIKey
GBNRIMMKLMTDLW-UHFFFAOYSA-N
Canonic Smiles
NC1CSCC1
Isomeric Smiles
S1CCC(N)C1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-3.0068383
LogD (pH = 7.4)
-2.4449942
Log P
0.01133417
Molar Refractivity
29.6605
Polarizability
11.959144
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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