Molecule

ID:90273

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂S₂
Molecular Mass
144.21796
Exact Mass
143.98159014
Charge
0
InChI
InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey
ZEQIWKHCJWRNTH-UHFFFAOYSA-N
Canonic Smiles
S=c1cc[nH]c(=S)[nH]1
Isomeric Smiles
[nH]1ccc(=S)[nH]c1=S
Calculated Properties
JChem
Acid pKa
9.590462
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
0.9244133
LogD (pH = 7.4)
0.92168766
Log P
0.9244482
Molar Refractivity
41.9511
Polarizability
16.290722
Polar Surface Area
24.06
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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