Molecule

ID:59240

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂OS
Molecular Mass
120.17342
Exact Mass
120.03573389
Charge
0
InChI
InChI=1S/C3H8N2OS/c1-7-2-3(4)5-6/h6H,2H2,1H3,(H2,4,5)
InChIKey
QHRNIKHIMLFEKR-UHFFFAOYSA-N
Canonic Smiles
CSC/C(=N/O)/N
Isomeric Smiles
C(/C(=N/O)/N)SC
Calculated Properties
JChem
Acid pKa
11.175528
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.4115354
LogD (pH = 7.4)
-0.35098755
Log P
-0.35006726
Molar Refractivity
30.8899
Polarizability
11.907387
Polar Surface Area
58.61
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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