Molecule
ID:86558
General Information
Molecular Formula
C₄H₆N₂OS₃
Molecular Mass
194.29824
Exact Mass
193.96422582
Charge
0
InChI
InChI=1S/C4H6N2OS3/c1-9-3-5-6(2-7)4(8)10-3/h7H,2H2,1H3
InChIKey
MJWMAVRBFRLQGM-UHFFFAOYSA-N
Canonic Smiles
CSc1nn(c(=S)s1)CO
Isomeric Smiles
n1(c(=S)sc(n1)SC)CO
Calculated Properties
JChem
Acid pKa
13.504867
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1581964
LogD (pH = 7.4)
2.158196
Log P
2.1581964
Molar Refractivity
49.5678
Polarizability
19.518412
Polar Surface Area
35.83
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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