Molecule

ID:105698

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NOS₂
Molecular Mass
177.28764
Exact Mass
177.02820598
Charge
0
InChI
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1
InChIKey
SUVMJBTUFCVSAD-JTQLQIEISA-N
Canonic Smiles
S=C=NCCCC[S@@](=O)C
Isomeric Smiles
C[S@](=O)CCCCN=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.21977109
LogD (pH = 7.4)
0.21977109
Log P
0.21977109
Molar Refractivity
49.5677
Polarizability
19.27231
Polar Surface Area
29.43
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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