Molecule

ID:105689

General Information
Structure
MolImage
Molecular Formula
C₅H₉NOS₂
Molecular Mass
163.26106
Exact Mass
163.01255591
Charge
0
InChI
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
InChIKey
LELAOEBVZLPXAZ-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCS(=O)C
Isomeric Smiles
CS(=O)CCCN=C=S
Calculated Properties
JChem
LogD (pH = 7.4)
-0.30
LogD (pH = 5.5)
-0.30
Log P
-0.30
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
0.70
Polar Surface Area
29.43
Polarizability
17.16
Molar Refractivity
44.92
LOG S
-1.01
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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