Molecule

ID:52493

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NS
Molecular Mass
129.22324
Exact Mass
129.06122036
Charge
0
InChI
InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3
InChIKey
MKWQGOSIKKPMLW-UHFFFAOYSA-N
Canonic Smiles
CC(CC)CN=C=S
Isomeric Smiles
C(C(CC)C)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7585218
LogD (pH = 7.4)
2.7585218
Log P
2.7585218
Molar Refractivity
39.6743
Polarizability
15.680779
Polar Surface Area
12.36
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
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References
Bioactivity
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