Molecule

ID:53303

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₂S
Molecular Mass
116.18472
Exact Mass
116.04081927
Charge
0
InChI
InChI=1S/C4H8N2S/c5-4-3-7-2-1-6-4/h1-3H2,(H2,5,6)
InChIKey
KLCGUDSBFDKXCQ-UHFFFAOYSA-N
Canonic Smiles
NC1=NCCSC1
Isomeric Smiles
C1CN=C(CS1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9678137
LogD (pH = 7.4)
-2.830624
Log P
-0.5544198
Molar Refractivity
32.2562
Polarizability
12.30025
Polar Surface Area
38.38
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
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References
Bioactivity
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