Molecule

ID:133636

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NS
Molecular Mass
133.255
Exact Mass
133.09252049
Charge
0
InChI
InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKey
GXEDNWSUKCJLLB-LURJTMIESA-N
Canonic Smiles
SC[C@H](CC(C)C)N
Isomeric Smiles
CC(C)C[C@@H](CS)N
Calculated Properties
JChem
Acid pKa
9.518254
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.5382096
LogD (pH = 7.4)
-0.6061278
Log P
1.2708235
Molar Refractivity
40.4861
Polarizability
16.381117
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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