Molecule
ID:79574
General Information
Molecular Formula
C₅H₁₂N₂S
Molecular Mass
132.22718
Exact Mass
132.07211939
Charge
0
InChI
InChI=1S/C5H12N2S/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKey
GJDKDYJNYVBZRZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)C(C)(C)C
Isomeric Smiles
S=C(C(C)(C)C)NN
Calculated Properties
JChem
Acid pKa
12.648023
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.3488164
LogD (pH = 7.4)
1.3624629
Log P
1.362642
Molar Refractivity
40.6433
Polarizability
15.955548
Polar Surface Area
38.05
Rotatable Bonds
1
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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