Molecule

ID:116584

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂S
Molecular Mass
130.2113
Exact Mass
130.05646933
Charge
0
InChI
InChI=1S/C5H10N2S/c1-2-8-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKey
CSYAQCWITOMLMK-UHFFFAOYSA-N
Canonic Smiles
CCSC1=NCCN1
Isomeric Smiles
C1(=NCCN1)SCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3431045
LogD (pH = 7.4)
-0.23224314
Log P
0.996251
Molar Refractivity
37.0645
Polarizability
14.160373
Polar Surface Area
24.39
Rotatable Bonds
2
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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