Molecule

ID:83252

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂S
Molecular Mass
118.2006
Exact Mass
118.05646933
Charge
0
InChI
InChI=1S/C4H10N2S/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
InChIKey
JAEZSIYNWDWMMN-UHFFFAOYSA-N
Canonic Smiles
CNC(=S)N(C)C
Isomeric Smiles
S=C(N(C)C)NC
Calculated Properties
JChem
Acid pKa
14.507437
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.19706222
LogD (pH = 7.4)
0.1970622
Log P
0.19706392
Molar Refractivity
35.8236
Polarizability
13.811228
Polar Surface Area
15.27
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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