Molecule
ID:123371
General Information
Molecular Formula
C₃H₃NOS₂
Molecular Mass
133.19202
Exact Mass
132.96560572
Charge
0
InChI
InChI=1S/C3H3NOS2/c5-2-1-4-3(6)7-2/h1H2,(H,4,6)
InChIKey
FDEUSQGAAOSCEA-UHFFFAOYSA-N
Canonic Smiles
O=C1CNC(=S)S1
Isomeric Smiles
S1C(=S)NCC1=O
Calculated Properties
JChem
Acid pKa
5.6218004
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.40360728
LogD (pH = 7.4)
-0.27878264
Log P
0.6121053
Molar Refractivity
33.5305
Polarizability
13.301551
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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