Molecule

ID:52208

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂S
Molecular Mass
118.2006
Exact Mass
118.05646933
Charge
0
InChI
InChI=1S/C4H10N2S/c1-2-3-6-4(5)7/h2-3H2,1H3,(H3,5,6,7)
InChIKey
UHGKYJXJYJWDAM-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=S)N
Isomeric Smiles
N(C(=S)N)CCC
Calculated Properties
JChem
Acid pKa
14.777971
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
0.62904215
LogD (pH = 7.4)
0.62904215
Log P
0.62904215
Molar Refractivity
35.3028
Polarizability
13.810332
Polar Surface Area
38.05
Rotatable Bonds
2
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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