Molecule

ID:57788

General Information
Structure
Molecular Formula
C₃H₄N₂OS₂
Molecular Mass
148.20666
Exact Mass
147.97650476
Charge
0
InChI
InChI=1S/C3H4N2OS2/c4-5-2(6)1-8-3(5)7/h1,4H2
InChIKey
ZBUUHLDYMKTVLT-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC(=S)N1N
Isomeric Smiles
N1(C(=S)SCC1=O)N
Calculated Properties
JChem
Acid pKa
18.086594
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.31452042
LogD (pH = 7.4)
0.31561565
Log P
0.31562963
Molar Refractivity
38.0146
Polarizability
14.717838
Polar Surface Area
46.33
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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