Molecule

ID:123284

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀NNaO₂S₂
Molecular Mass
179.23677
Exact Mass
179.00506485
Charge
0
InChI
InChI=1S/C3H7NS2.Na.2H2O/c1-4(2)3(5)6;;;/h1-2H3,(H,5,6);;2*1H2/q;+1;;/p-1
InChIKey
NQVBYQPOGVWUPK-UHFFFAOYSA-M
Canonic Smiles
CN(C(=S)[S-])C.O.O.[Na+]
Isomeric Smiles
C(=S)([S-])N(C)C.[Na+].O.O
Calculated Properties
JChem
Acid pKa
2.0140626
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.15268822
LogD (pH = 7.4)
0.1508859
Log P
1.2938448
Molar Refractivity
36.2607
Polarizability
14.217208
Polar Surface Area
3.24
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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