Molecule

ID:81424

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂S
Molecular Mass
116.18472
Exact Mass
116.04081927
Charge
0
InChI
InChI=1S/C4H8N2S/c1-3-2-5-4(7)6-3/h3H,2H2,1H3,(H2,5,6,7)
InChIKey
NGZJXCFNBVJLQN-UHFFFAOYSA-N
Canonic Smiles
CC1CNC(=S)N1
Isomeric Smiles
N1C(=S)NCC1C
Calculated Properties
JChem
Acid pKa
13.440616
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
0.21843773
LogD (pH = 7.4)
0.21843734
Log P
0.21843794
Molar Refractivity
33.3767
Polarizability
13.077419
Polar Surface Area
24.06
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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