Molecule

ID:40141

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂OS₂
Molecular Mass
174.24394
Exact Mass
173.99215482
Charge
0
InChI
InChI=1S/C5H6N2OS2/c6-3(9)1-5-7-4(8)2-10-5/h2,8H,1H2,(H2,6,9)
InChIKey
LAQFXEPTZXJKAI-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Cc1nc(cs1)O
Isomeric Smiles
n1c(scc1O)CC(=S)N
Calculated Properties
JChem
Acid pKa
8.060776
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0190432
LogD (pH = 7.4)
0.93457466
Log P
1.021151
Molar Refractivity
44.1587
Polarizability
16.989113
Polar Surface Area
59.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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