Molecule

ID:44794

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NOS₂
Molecular Mass
177.28764
Exact Mass
177.02820598
Charge
0
InChI
InChI=1S/C6H11NOS2/c1-10-6(9)7-2-4-8-5-3-7/h2-5H2,1H3
InChIKey
VJOUSDFNBHXWJA-UHFFFAOYSA-N
Canonic Smiles
CSC(=S)N1CCOCC1
Isomeric Smiles
C(=S)(N1CCOCC1)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4623536
LogD (pH = 7.4)
1.4623536
Log P
1.4623536
Molar Refractivity
49.244
Polarizability
19.406916
Polar Surface Area
12.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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