Molecule

ID:33661

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₄S
Molecular Mass
130.17154
Exact Mass
130.03131721
Charge
0
InChI
InChI=1S/C3H6N4S/c1-2-5-6-3(8)7(2)4/h4H2,1H3,(H,6,8)
InChIKey
KBKNKJFPVHUXCW-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(n1N)S
Isomeric Smiles
n1(c(nnc1C)S)N
Calculated Properties
JChem
Acid pKa
7.446784
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1756033
LogD (pH = 7.4)
-1.4346483
Log P
-1.170753
Molar Refractivity
37.0476
Polarizability
12.282616
Polar Surface Area
56.73
Rotatable Bonds
0
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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