Molecule

ID:136058

General Information
Structure
MolImage
Molecular Formula
C₅H₇NOS
Molecular Mass
129.18018
Exact Mass
129.02483485
Charge
0
InChI
InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
InChIKey
FZOZFDAMVVEZSJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1=NCCS1
Isomeric Smiles
CC(=O)C1=NCCS1
Calculated Properties
JChem
Acid pKa
18.38174
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0045347
LogD (pH = 7.4)
1.004854
Log P
1.004858
Molar Refractivity
34.2425
Polarizability
13.118751
Polar Surface Area
29.43
Rotatable Bonds
1
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
References
Bioactivity
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