Molecule

ID:87059

General Information
Structure
MolImage
Molecular Formula
C₄H₇NS
Molecular Mass
101.17008
Exact Mass
101.02992023
Charge
0
InChI
InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChIKey
VHBFEIBMZHEWSX-UHFFFAOYSA-N
Canonic Smiles
CC(N=C=S)C
Isomeric Smiles
S=C=NC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8430331
LogD (pH = 7.4)
1.8430331
Log P
1.8430331
Molar Refractivity
30.4965
Polarizability
11.987859
Polar Surface Area
12.36
Rotatable Bonds
1
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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