Molecule

ID:108460

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂OS₂
Molecular Mass
178.2757
Exact Mass
178.02345495
Charge
0
InChI
InChI=1S/C5H10N2OS2/c9-5(10)6-7-1-3-8-4-2-7/h1-4H2,(H2,6,9,10)
InChIKey
AELJUOLUTZKBIA-UHFFFAOYSA-N
Canonic Smiles
SC(=S)NN1CCOCC1
Isomeric Smiles
SC(=S)NN1CCOCC1
Calculated Properties
JChem
Acid pKa
1.9129227
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.64414805
LogD (pH = 7.4)
-0.64567566
Log P
0.30748445
Molar Refractivity
47.893
Polarizability
18.994898
Polar Surface Area
24.5
Rotatable Bonds
1
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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