Molecule

ID:28576

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NS
Molecular Mass
133.255
Exact Mass
133.09252049
Charge
0
InChI
InChI=1S/C6H15NS/c1-6(2,3)8-5-4-7/h4-5,7H2,1-3H3
InChIKey
NXALBHIRLFDURB-UHFFFAOYSA-N
Canonic Smiles
NCCSC(C)(C)C
Isomeric Smiles
C(SCCN)(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0954416
LogD (pH = 7.4)
-1.3248335
Log P
0.909536
Molar Refractivity
40.9979
Polarizability
16.388697
Polar Surface Area
26.02
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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