Molecule

ID:81199

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NS₂
Molecular Mass
161.28824
Exact Mass
161.03329136
Charge
0
InChI
InChI=1S/C6H11NS2/c1-8-4-6(3-7)5-9-2/h6H,4-5H2,1-2H3
InChIKey
BYNRDDZNXFVOPD-UHFFFAOYSA-N
Canonic Smiles
CSCC(C#N)CSC
Isomeric Smiles
N#CC(CSC)CSC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7933402
LogD (pH = 7.4)
1.7933402
Log P
1.7933402
Molar Refractivity
45.733
Polarizability
17.743233
Polar Surface Area
23.79
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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