Molecule

ID:75081

General Information
Structure
MolImage
Molecular Formula
C₄H₅NOS₂
Molecular Mass
147.2186
Exact Mass
146.98125579
Charge
0
InChI
InChI=1S/C4H5NOS2/c1-3-2-8-4(7)5(3)6/h2,6H,1H3
InChIKey
LOKDIDVKVVVVHK-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(=S)n1O
Isomeric Smiles
s1c(=S)n(c(c1)C)O
Calculated Properties
JChem
Acid pKa
7.254169
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4472195
LogD (pH = 7.4)
1.0772785
Log P
1.45477
Molar Refractivity
40.5061
Polarizability
15.425732
Polar Surface Area
23.47
Rotatable Bonds
0
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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