Molecule

ID:112457

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂S₂
Molecular Mass
132.20726
Exact Mass
131.98159014
Charge
0
InChI
InChI=1S/C3H4N2S2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)
InChIKey
FPVUWZFFEGYCGB-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(=S)s1
Isomeric Smiles
Cc1n[nH]c(=S)s1
Calculated Properties
JChem
Acid pKa
7.528008
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.136981
LogD (pH = 7.4)
0.93426013
Log P
1.1406007
Molar Refractivity
35.65
Polarizability
13.939725
Polar Surface Area
24.39
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
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Molecule Details
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References
Bioactivity
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