Molecule

ID:77811

General Information
Structure
MolImage
Molecular Formula
C₅H₉NOS₂
Molecular Mass
163.26106
Exact Mass
163.01255591
Charge
0
InChI
InChI=1S/C5H9NOS2/c1-5(4(6)7)2-8-9-3-5/h2-3H2,1H3,(H2,6,7)
InChIKey
GUZRHBSIAMFARD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(C)CSSC1
Isomeric Smiles
S1SCC(C1)(C(=O)N)C
Calculated Properties
JChem
Acid pKa
16.031694
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.5434671
LogD (pH = 7.4)
0.5434671
Log P
0.5434671
Molar Refractivity
42.2867
Polarizability
16.60444
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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